3-amino-N-(1-propylpiperidin-4-yl)-1H-pyrazole-5-carboxamide

C12H21N5O — CID 64525063

IUPAC3-amino-N-(1-propylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
SMILESCCCN1CCC(NC(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C12H21N5O/c1-2-5-17-6-3-9(4-7-17)14-12(18)10-8-11(13)16-15-10/h8-9H,2-7H2,1H3,(H,14,18)(H3,13,15,16)
InChIKeyLSRIDROGTAUSRK-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.60
Rot. Bonds4

About 3-amino-N-(1-propylpiperidin-4-yl)-1H-pyrazole-5-carboxamide

3-amino-N-(1-propylpiperidin-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 64525063) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-amino-N-(1-propylpiperidin-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-propylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID64525063
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-amino-N-(1-propylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
SMILESCCCN1CCC(NC(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C12H21N5O/c1-2-5-17-6-3-9(4-7-17)14-12(18)10-8-11(13)16-15-10/h8-9H,2-7H2,1H3,(H,14,18)(H3,13,15,16)
InChIKeyLSRIDROGTAUSRK-UHFFFAOYSA-N
XLogP0.60
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 64524814
3-amino-N-(4-propylcyclohexyl)-1H-pyrazole-5-carboxamide
CID 64524883
4-amino-6-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 81240989
2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 62509244
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525612
2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide
CID 79722366
3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide
CID 64525648
4-amino-1,3-dimethyl-N-(1-propylpiperidin-4-yl)pyrazole-5-carboxamide
CID 66123805
3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369393
3-amino-N-(1-cyclopentylpiperidin-3-yl)-1H-pyrazole-5-carboxamide
CID 91766340
N-(1-propylpiperidin-4-yl)-1H-indazole-6-carboxamide
CID 60715287

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-propylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(1-propylpiperidin-4-yl)-1H-pyrazole-5-carboxamide (CID 64525063) is 3-amino-N-(1-propylpiperidin-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(1-propylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(1-propylpiperidin-4-yl)-1H-pyrazole-5-carboxamide is CCCN1CCC(NC(=O)c2cc(N)n[nH]2)CC1.
What is the InChIKey of 3-amino-N-(1-propylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is LSRIDROGTAUSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-5-17-6-3-9(4-7-17)14-12(18)10-8-11(13)16-15-10/h8-9H,2-7H2,1H3,(H,14,18)(H3,13,15,16).
What are the key properties of 3-amino-N-(1-propylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
3-amino-N-(1-propylpiperidin-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-propylpiperidin-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).