N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide

C13H17N5O — CID 136523537

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H17N5O/c1-3-18-11(6-8(2)17-18)13(19)14-12-7-10(15-16-12)9-4-5-9/h6-7,9H,3-5H2,1-2H3,(H2,14,15,16,19)
InChIKeyPUEWGVDPTHEHDB-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.06
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 136523537) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID136523537
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H17N5O/c1-3-18-11(6-8(2)17-18)13(19)14-12-7-10(15-16-12)9-4-5-9/h6-7,9H,3-5H2,1-2H3,(H2,14,15,16,19)
InChIKeyPUEWGVDPTHEHDB-UHFFFAOYSA-N
XLogP2.06
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide (CID 136523537) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is PUEWGVDPTHEHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-18-11(6-8(2)17-18)13(19)14-12-7-10(15-16-12)9-4-5-9/h6-7,9H,3-5H2,1-2H3,(H2,14,15,16,19).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 136523537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).