3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide

C12H21N5O — CID 107162900

IUPAC3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(C)(CNC(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C12H21N5O/c1-12(3-5-17(2)6-4-12)8-14-11(18)9-7-10(13)16-15-9/h7H,3-6,8H2,1-2H3,(H,14,18)(H3,13,15,16)
InChIKeyHKPOTGDBXDEKOX-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.45
Rot. Bonds3

About 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide

3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 107162900) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID107162900
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(C)(CNC(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C12H21N5O/c1-12(3-5-17(2)6-4-12)8-14-11(18)9-7-10(13)16-15-9/h7H,3-6,8H2,1-2H3,(H,14,18)(H3,13,15,16)
InChIKeyHKPOTGDBXDEKOX-UHFFFAOYSA-N
XLogP0.45
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25130209
US10022354, Example 209
CID 132070225
5-amino-N-methyl-1H-pyrazole-3-carboxamide
CID 51072191
3-amino-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 64523621
1-[(5-amino-4-chloro-1H-pyrazol-3-yl)carbonyl]-N,4-dimethylpiperidine-4-carboxamide
CID 77084990
(6S)-8-(3-amino-1H-pyrazole-5-carbonyl)-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one
CID 96384827
3-amino-N-[2-[(3R)-oxan-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 125444395
N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 59455840
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 64523479
3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 64523675
(3-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 64524048
3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 64524050

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide (CID 107162900) is 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide is CN1CCC(C)(CNC(=O)c2cc(N)n[nH]2)CC1.
What is the InChIKey of 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is HKPOTGDBXDEKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-12(3-5-17(2)6-4-12)8-14-11(18)9-7-10(13)16-15-9/h7H,3-6,8H2,1-2H3,(H,14,18)(H3,13,15,16).
What are the key properties of 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 107162900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).