N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide

C27H35N5O — CID 6042470

IUPACN-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide
SMILESCc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N\NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H35N5O/c1-19-24(18-28-29-26(33)27-15-20-12-21(16-27)14-22(13-20)17-27)25(31-10-6-3-7-11-31)32(30-19)23-8-4-2-5-9-23/h2,4-5,8-9,18,20-22H,3,6-7,10-17H2,1H3,(H,29,33)/b28-18-
InChIKeyNQDCTLNHOSXYLJ-VEILYXNESA-N
MW445.61 g/mol
LogP4.84
Rot. Bonds5

About N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide

N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide (PubChem CID 6042470) has the molecular formula C27H35N5O and a molecular weight of 445.61 g/mol. Its IUPAC name is N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide
PubChem CID6042470
Molecular FormulaC27H35N5O
Molecular Weight445.61 g/mol
Exact Mass445.28
IUPAC NameN-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide
SMILESCc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N\NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H35N5O/c1-19-24(18-28-29-26(33)27-15-20-12-21(16-27)14-22(13-20)17-27)25(31-10-6-3-7-11-31)32(30-19)23-8-4-2-5-9-23/h2,4-5,8-9,18,20-22H,3,6-7,10-17H2,1H3,(H,29,33)/b28-18-
InChIKeyNQDCTLNHOSXYLJ-VEILYXNESA-N
XLogP4.84
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

methyl N-[(Z)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]carbamate
CID 9291809
[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]thiourea
CID 4089778
N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine
CID 781091
(3S)-N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 30449403
N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 162395850
N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 5035048
4,6-dimethyl-N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 6010547
4,6-dimethyl-N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 4102946
N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2486600
N-(benzylideneamino)adamantane-1-carboxamide
CID 2837531
1-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 6905031
N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 2390859

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide?
The IUPAC name of N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide (CID 6042470) is N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide.
What is the SMILES notation for N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide?
The canonical SMILES for N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide is Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N\NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide?
The InChIKey is NQDCTLNHOSXYLJ-VEILYXNESA-N. The full InChI is InChI=1S/C27H35N5O/c1-19-24(18-28-29-26(33)27-15-20-12-21(16-27)14-22(13-20)17-27)25(31-10-6-3-7-11-31)32(30-19)23-8-4-2-5-9-23/h2,4-5,8-9,18,20-22H,3,6-7,10-17H2,1H3,(H,29,33)/b28-18-.
What are the key properties of N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide?
N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide has a molecular weight of 445.61 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide is sourced from PubChem (CID 6042470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).