N-(cyclopropylmethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;formic acid

C21H32N6O5 — CID 155879875

IUPACN-(cyclopropylmethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;formic acid
SMILESCCn1cc(CN2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)cn1.O=CO.O=CO
InChIInChI=1S/C19H28N6O.2CH2O2/c1-2-24-15-17(13-22-24)14-23-10-6-19(7-11-23,25-9-3-8-21-25)18(26)20-12-16-4-5-16;2*2-1-3/h3,8-9,13,15-16H,2,4-7,10-12,14H2,1H3,(H,20,26);2*1H,(H,2,3)
InChIKeyZRROZXXBKFINBM-UHFFFAOYSA-N
MW448.52 g/mol
LogP1.02
Rot. Bonds7

About N-(cyclopropylmethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;formic acid

N-(cyclopropylmethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;formic acid (PubChem CID 155879875) has the molecular formula C21H32N6O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;formic acid.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;formic acid
PubChem CID155879875
Molecular FormulaC21H32N6O5
Molecular Weight448.52 g/mol
Exact Mass448.24
IUPAC NameN-(cyclopropylmethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;formic acid
SMILESCCn1cc(CN2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)cn1.O=CO.O=CO
InChIInChI=1S/C19H28N6O.2CH2O2/c1-2-24-15-17(13-22-24)14-23-10-6-19(7-11-23,25-9-3-8-21-25)18(26)20-12-16-4-5-16;2*2-1-3/h3,8-9,13,15-16H,2,4-7,10-12,14H2,1H3,(H,20,26);2*1H,(H,2,3)
InChIKeyZRROZXXBKFINBM-UHFFFAOYSA-N
XLogP1.02
TPSA142.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878944
N-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874326
N-(cyclopropylmethyl)-1-(2-methylpropanoyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155875754
1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155875526
N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874619
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62592588
N-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 155874544
1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56902810
N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid
CID 155878922
N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63243485
N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 42216008

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;formic acid?
The IUPAC name of N-(cyclopropylmethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;formic acid (CID 155879875) is N-(cyclopropylmethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;formic acid.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;formic acid?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;formic acid is CCn1cc(CN2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)cn1.O=CO.O=CO.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;formic acid?
The InChIKey is ZRROZXXBKFINBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O.2CH2O2/c1-2-24-15-17(13-22-24)14-23-10-6-19(7-11-23,25-9-3-8-21-25)18(26)20-12-16-4-5-16;2*2-1-3/h3,8-9,13,15-16H,2,4-7,10-12,14H2,1H3,(H,20,26);2*1H,(H,2,3).
What are the key properties of N-(cyclopropylmethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;formic acid?
N-(cyclopropylmethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;formic acid has a molecular weight of 448.52 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;formic acid is sourced from PubChem (CID 155879875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).