4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide

C15H26N4O — CID 62077945

IUPAC4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C15H26N4O/c1-9(2)5-4-6-10(3)17-15(20)14-12(16)13(18-19-14)11-7-8-11/h9-11H,4-8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyHELMOCNZASEUNM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.81
Rot. Bonds7

About 4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide

4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 62077945) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID62077945
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C15H26N4O/c1-9(2)5-4-6-10(3)17-15(20)14-12(16)13(18-19-14)11-7-8-11/h9-11H,4-8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyHELMOCNZASEUNM-UHFFFAOYSA-N
XLogP2.81
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide (CID 62077945) is 4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide is CC(C)CCCC(C)NC(=O)c1n[nH]c(C2CC2)c1N.
What is the InChIKey of 4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is HELMOCNZASEUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-9(2)5-4-6-10(3)17-15(20)14-12(16)13(18-19-14)11-7-8-11/h9-11H,4-8,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62077945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).