5-(cyclopropanecarbonylamino)-1-methyl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide

C16H19N5O2 — CID 56730214

IUPAC5-(cyclopropanecarbonylamino)-1-methyl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(NC(=O)C2CC2)n(C)n1)c1ccncc1
InChIInChI=1S/C16H19N5O2/c1-10(11-5-7-17-8-6-11)18-16(23)13-9-14(21(2)20-13)19-15(22)12-3-4-12/h5-10,12H,3-4H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyJYGNAMJWXJYAFP-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.65
Rot. Bonds5

About 5-(cyclopropanecarbonylamino)-1-methyl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide

5-(cyclopropanecarbonylamino)-1-methyl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide (PubChem CID 56730214) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-1-methyl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-1-methyl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide
PubChem CID56730214
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name5-(cyclopropanecarbonylamino)-1-methyl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(NC(=O)C2CC2)n(C)n1)c1ccncc1
InChIInChI=1S/C16H19N5O2/c1-10(11-5-7-17-8-6-11)18-16(23)13-9-14(21(2)20-13)19-15(22)12-3-4-12/h5-10,12H,3-4H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyJYGNAMJWXJYAFP-UHFFFAOYSA-N
XLogP1.65
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-1-methyl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-1-methyl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide (CID 56730214) is 5-(cyclopropanecarbonylamino)-1-methyl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-1-methyl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-1-methyl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide is CC(NC(=O)c1cc(NC(=O)C2CC2)n(C)n1)c1ccncc1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-1-methyl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide?
The InChIKey is JYGNAMJWXJYAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10(11-5-7-17-8-6-11)18-16(23)13-9-14(21(2)20-13)19-15(22)12-3-4-12/h5-10,12H,3-4H2,1-2H3,(H,18,23)(H,19,22).
What are the key properties of 5-(cyclopropanecarbonylamino)-1-methyl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide?
5-(cyclopropanecarbonylamino)-1-methyl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-1-methyl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 56730214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).