N-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide

C10H16N4O — CID 90789328

IUPACN-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCN1CCCCC1)c1cn[nH]c1
InChIInChI=1S/C10H16N4O/c15-10(9-6-12-13-7-9)11-8-14-4-2-1-3-5-14/h6-7H,1-5,8H2,(H,11,15)(H,12,13)
InChIKeyJQYCGEPGGFABJI-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.58
Rot. Bonds3

About N-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide

N-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 90789328) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID90789328
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCN1CCCCC1)c1cn[nH]c1
InChIInChI=1S/C10H16N4O/c15-10(9-6-12-13-7-9)11-8-14-4-2-1-3-5-14/h6-7H,1-5,8H2,(H,11,15)(H,12,13)
InChIKeyJQYCGEPGGFABJI-UHFFFAOYSA-N
XLogP0.58
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 122157149
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 113283330
1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid
CID 113310740
N-[[1-(bromomethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
CID 103969790
N-(methoxymethyl)-1H-pyrazole-4-carboxamide
CID 154047785
1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 54877453
N-(6-aminohexyl)-1H-pyrazole-4-carboxamide
CID 107843778
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
[2-(aminomethyl)azepan-1-yl]-(1H-pyrazol-4-yl)methanone
CID 116639948
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 63897139
N-cyclohexyl-1H-pyrazole-4-carboxamide
CID 43532859

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide (CID 90789328) is N-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide is O=C(NCN1CCCCC1)c1cn[nH]c1.
What is the InChIKey of N-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is JQYCGEPGGFABJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c15-10(9-6-12-13-7-9)11-8-14-4-2-1-3-5-14/h6-7H,1-5,8H2,(H,11,15)(H,12,13).
What are the key properties of N-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide?
N-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 90789328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).