N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide

C17H22N4O — CID 122157149

IUPACN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccc(CN2CCCCC2)cc1)c1cn[nH]c1
InChIInChI=1S/C17H22N4O/c22-17(16-11-19-20-12-16)18-10-14-4-6-15(7-5-14)13-21-8-2-1-3-9-21/h4-7,11-12H,1-3,8-10,13H2,(H,18,22)(H,19,20)
InChIKeyWZXHIPWYGYMUFK-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.33
Rot. Bonds5

About N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide

N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 122157149) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID122157149
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccc(CN2CCCCC2)cc1)c1cn[nH]c1
InChIInChI=1S/C17H22N4O/c22-17(16-11-19-20-12-16)18-10-14-4-6-15(7-5-14)13-21-8-2-1-3-9-21/h4-7,11-12H,1-3,8-10,13H2,(H,18,22)(H,19,20)
InChIKeyWZXHIPWYGYMUFK-UHFFFAOYSA-N
XLogP2.33
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide
CID 90789328
4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 17398321
N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131952254
4-[(1H-pyrazole-4-carbonylamino)methyl]benzenesulfonyl chloride
CID 55179604
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 18119444
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-chloropyridine-4-carboxamide
CID 60602338
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 24532506
N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60787483
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
CID 9049744
2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 51232553
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036

Frequently Asked Questions

What is the IUPAC name of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide (CID 122157149) is N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide is O=C(NCc1ccc(CN2CCCCC2)cc1)c1cn[nH]c1.
What is the InChIKey of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is WZXHIPWYGYMUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(16-11-19-20-12-16)18-10-14-4-6-15(7-5-14)13-21-8-2-1-3-9-21/h4-7,11-12H,1-3,8-10,13H2,(H,18,22)(H,19,20).
What are the key properties of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 122157149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).