3-chloro-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C10H9ClN4O — CID 2171634

IUPAC3-chloro-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESC=CCNC(=O)c1nn2cccnc2c1Cl
InChIInChI=1S/C10H9ClN4O/c1-2-4-13-10(16)8-7(11)9-12-5-3-6-15(9)14-8/h2-3,5-6H,1,4H2,(H,13,16)
InChIKeyCBILHBXWXUQROT-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.30
Rot. Bonds3

About 3-chloro-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2171634) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 3-chloro-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2171634
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name3-chloro-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESC=CCNC(=O)c1nn2cccnc2c1Cl
InChIInChI=1S/C10H9ClN4O/c1-2-4-13-10(16)8-7(11)9-12-5-3-6-15(9)14-8/h2-3,5-6H,1,4H2,(H,13,16)
InChIKeyCBILHBXWXUQROT-UHFFFAOYSA-N
XLogP1.30
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2171634) is 3-chloro-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide is C=CCNC(=O)c1nn2cccnc2c1Cl.
What is the InChIKey of 3-chloro-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CBILHBXWXUQROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-2-4-13-10(16)8-7(11)9-12-5-3-6-15(9)14-8/h2-3,5-6H,1,4H2,(H,13,16).
What are the key properties of 3-chloro-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 236.66 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2171634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).