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

C13H21N5O — CID 62075802

IUPAC4-amino-5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c(C3CC3)c2N)CC1
InChIInChI=1S/C13H21N5O/c1-18-6-4-9(5-7-18)15-13(19)12-10(14)11(16-17-12)8-2-3-8/h8-9H,2-7,14H2,1H3,(H,15,19)(H,16,17)
InChIKeyICLPHJLXCMKPKH-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.69
Rot. Bonds3

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

4-amino-5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide (PubChem CID 62075802) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
PubChem CID62075802
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-amino-5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c(C3CC3)c2N)CC1
InChIInChI=1S/C13H21N5O/c1-18-6-4-9(5-7-18)15-13(19)12-10(14)11(16-17-12)8-2-3-8/h8-9H,2-7,14H2,1H3,(H,15,19)(H,16,17)
InChIKeyICLPHJLXCMKPKH-UHFFFAOYSA-N
XLogP0.69
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide (CID 62075802) is 4-amino-5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide is CN1CCC(NC(=O)c2n[nH]c(C3CC3)c2N)CC1.
What is the InChIKey of 4-amino-5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is ICLPHJLXCMKPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-18-6-4-9(5-7-18)15-13(19)12-10(14)11(16-17-12)8-2-3-8/h8-9H,2-7,14H2,1H3,(H,15,19)(H,16,17).
What are the key properties of 4-amino-5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62075802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).