1-[(1-cyclopropylpyrazol-3-yl)-prop-2-ynoylamino]cyclopentane-1-carboxamide

C15H18N4O2 — CID 170769318

IUPAC1-[(1-cyclopropylpyrazol-3-yl)-prop-2-ynoylamino]cyclopentane-1-carboxamide
SMILESC#CC(=O)N(c1ccn(C2CC2)n1)C1(C(N)=O)CCCC1
InChIInChI=1S/C15H18N4O2/c1-2-13(20)19(15(14(16)21)8-3-4-9-15)12-7-10-18(17-12)11-5-6-11/h1,7,10-11H,3-6,8-9H2,(H2,16,21)
InChIKeyJNAWHTVINHEBQV-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.98
Rot. Bonds4

About 1-[(1-cyclopropylpyrazol-3-yl)-prop-2-ynoylamino]cyclopentane-1-carboxamide

1-[(1-cyclopropylpyrazol-3-yl)-prop-2-ynoylamino]cyclopentane-1-carboxamide (PubChem CID 170769318) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[(1-cyclopropylpyrazol-3-yl)-prop-2-ynoylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[(1-cyclopropylpyrazol-3-yl)-prop-2-ynoylamino]cyclopentane-1-carboxamide
PubChem CID170769318
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[(1-cyclopropylpyrazol-3-yl)-prop-2-ynoylamino]cyclopentane-1-carboxamide
SMILESC#CC(=O)N(c1ccn(C2CC2)n1)C1(C(N)=O)CCCC1
InChIInChI=1S/C15H18N4O2/c1-2-13(20)19(15(14(16)21)8-3-4-9-15)12-7-10-18(17-12)11-5-6-11/h1,7,10-11H,3-6,8-9H2,(H2,16,21)
InChIKeyJNAWHTVINHEBQV-UHFFFAOYSA-N
XLogP0.98
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylpyrazol-3-yl)-prop-2-ynoylamino]cyclopentane-1-carboxamide?
The IUPAC name of 1-[(1-cyclopropylpyrazol-3-yl)-prop-2-ynoylamino]cyclopentane-1-carboxamide (CID 170769318) is 1-[(1-cyclopropylpyrazol-3-yl)-prop-2-ynoylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[(1-cyclopropylpyrazol-3-yl)-prop-2-ynoylamino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[(1-cyclopropylpyrazol-3-yl)-prop-2-ynoylamino]cyclopentane-1-carboxamide is C#CC(=O)N(c1ccn(C2CC2)n1)C1(C(N)=O)CCCC1.
What is the InChIKey of 1-[(1-cyclopropylpyrazol-3-yl)-prop-2-ynoylamino]cyclopentane-1-carboxamide?
The InChIKey is JNAWHTVINHEBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-13(20)19(15(14(16)21)8-3-4-9-15)12-7-10-18(17-12)11-5-6-11/h1,7,10-11H,3-6,8-9H2,(H2,16,21).
What are the key properties of 1-[(1-cyclopropylpyrazol-3-yl)-prop-2-ynoylamino]cyclopentane-1-carboxamide?
1-[(1-cyclopropylpyrazol-3-yl)-prop-2-ynoylamino]cyclopentane-1-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylpyrazol-3-yl)-prop-2-ynoylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 170769318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).