N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C19H25N5O2 — CID 120934450

IUPACN-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)(C(N)=O)c1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1
InChIInChI=1S/C19H25N5O2/c1-18(2,16(20)25)14-4-6-15(7-5-14)23-17(26)19(8-11-21-12-9-19)24-13-3-10-22-24/h3-7,10,13,21H,8-9,11-12H2,1-2H3,(H2,20,25)(H,23,26)
InChIKeyGDBDGVTXVMZFTM-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.36
Rot. Bonds5

About N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120934450) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120934450
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)(C(N)=O)c1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1
InChIInChI=1S/C19H25N5O2/c1-18(2,16(20)25)14-4-6-15(7-5-14)23-17(26)19(8-11-21-12-9-19)24-13-3-10-22-24/h3-7,10,13,21H,8-9,11-12H2,1-2H3,(H2,20,25)(H,23,26)
InChIKeyGDBDGVTXVMZFTM-UHFFFAOYSA-N
XLogP1.36
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
methyl 2-[[4-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzoyl]amino]acetate
CID 120919843
N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120928511
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925648
N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120920936
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920388
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919261
N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935836
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919934

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120934450) is N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CC(C)(C(N)=O)c1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1.
What is the InChIKey of N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is GDBDGVTXVMZFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-18(2,16(20)25)14-4-6-15(7-5-14)23-17(26)19(8-11-21-12-9-19)24-13-3-10-22-24/h3-7,10,13,21H,8-9,11-12H2,1-2H3,(H2,20,25)(H,23,26).
What are the key properties of N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120934450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).