N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1H-pyrazole-4-carboxamide

C12H20N4O2 — CID 91834316

IUPACN-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCCN1CCC(CO)CC1)c1cn[nH]c1
InChIInChI=1S/C12H20N4O2/c17-9-10-1-4-16(5-2-10)6-3-13-12(18)11-7-14-15-8-11/h7-8,10,17H,1-6,9H2,(H,13,18)(H,14,15)
InChIKeyKJIWGBOEKFYWFC-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.16
Rot. Bonds5

About N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1H-pyrazole-4-carboxamide

N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 91834316) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1H-pyrazole-4-carboxamide
PubChem CID91834316
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCCN1CCC(CO)CC1)c1cn[nH]c1
InChIInChI=1S/C12H20N4O2/c17-9-10-1-4-16(5-2-10)6-3-13-12(18)11-7-14-15-8-11/h7-8,10,17H,1-6,9H2,(H,13,18)(H,14,15)
InChIKeyKJIWGBOEKFYWFC-UHFFFAOYSA-N
XLogP-0.16
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-pyrazol-4-ylcarbonyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 77078732
N-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-1H-pyrazole-4-carboxamide
CID 77086728
1-{3-[(1H-pyrazol-4-ylcarbonyl)amino]propyl}piperidine-4-carboxamide
CID 91834090
4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 90783148
N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 20785160
1-(1H-pyrazole-4-carbonyl)piperazine
CID 43565571
N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide
CID 43582642
N-(3-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
CID 43582856
N-(4-piperidinylmethyl)-1H-Pyrazole-4-carboxamide
CID 58933866
N-(1-methylpiperidin-3-yl)-1H-pyrazole-4-carboxamide
CID 61150810
3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 90838042
4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 91570620

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1H-pyrazole-4-carboxamide (CID 91834316) is N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1H-pyrazole-4-carboxamide is O=C(NCCN1CCC(CO)CC1)c1cn[nH]c1.
What is the InChIKey of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is KJIWGBOEKFYWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c17-9-10-1-4-16(5-2-10)6-3-13-12(18)11-7-14-15-8-11/h7-8,10,17H,1-6,9H2,(H,13,18)(H,14,15).
What are the key properties of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1H-pyrazole-4-carboxamide?
N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91834316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).