5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride

C13H24ClN5O — CID 120849092

IUPAC5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)(N)CN1CCCC(c2cc(C(N)=O)n[nH]2)C1.Cl
InChIInChI=1S/C13H23N5O.ClH/c1-13(2,15)8-18-5-3-4-9(7-18)10-6-11(12(14)19)17-16-10;/h6,9H,3-5,7-8,15H2,1-2H3,(H2,14,19)(H,16,17);1H
InChIKeyKEYNBKFGCMOZIZ-UHFFFAOYSA-N
MW301.82 g/mol
LogP0.85
Rot. Bonds4

About 5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride

5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 120849092) has the molecular formula C13H24ClN5O and a molecular weight of 301.82 g/mol. Its IUPAC name is 5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID120849092
Molecular FormulaC13H24ClN5O
Molecular Weight301.82 g/mol
Exact Mass301.17
IUPAC Name5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)(N)CN1CCCC(c2cc(C(N)=O)n[nH]2)C1.Cl
InChIInChI=1S/C13H23N5O.ClH/c1-13(2,15)8-18-5-3-4-9(7-18)10-6-11(12(14)19)17-16-10;/h6,9H,3-5,7-8,15H2,1-2H3,(H2,14,19)(H,16,17);1H
InChIKeyKEYNBKFGCMOZIZ-UHFFFAOYSA-N
XLogP0.85
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217786
5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 75373887
5-[(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514045
5-[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96513943
5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927132
5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217770
4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid
CID 122126620
5-[1-(3-ethoxy-2-hydroxypropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927112
3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 75378433
5-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514043
5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514013
5-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927110

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride (CID 120849092) is 5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride is CC(C)(N)CN1CCCC(c2cc(C(N)=O)n[nH]2)C1.Cl.
What is the InChIKey of 5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is KEYNBKFGCMOZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O.ClH/c1-13(2,15)8-18-5-3-4-9(7-18)10-6-11(12(14)19)17-16-10;/h6,9H,3-5,7-8,15H2,1-2H3,(H2,14,19)(H,16,17);1H.
What are the key properties of 5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride?
5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120849092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).