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

C11H11ClN6O — CID 116794674

IUPAC4-amino-N-(2-chloropyrimidin-4-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)Nc2ccnc(Cl)n2)n[nH]c1C1CC1
InChIInChI=1S/C11H11ClN6O/c12-11-14-4-3-6(16-11)15-10(19)9-7(13)8(17-18-9)5-1-2-5/h3-5H,1-2,13H2,(H,17,18)(H,14,15,16,19)
InChIKeyPAUKDRVFSWIDPX-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.57
Rot. Bonds3

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

4-amino-N-(2-chloropyrimidin-4-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 116794674) has the molecular formula C11H11ClN6O and a molecular weight of 278.70 g/mol. Its IUPAC name is 4-amino-N-(2-chloropyrimidin-4-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-chloropyrimidin-4-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID116794674
Molecular FormulaC11H11ClN6O
Molecular Weight278.70 g/mol
Exact Mass278.07
IUPAC Name4-amino-N-(2-chloropyrimidin-4-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)Nc2ccnc(Cl)n2)n[nH]c1C1CC1
InChIInChI=1S/C11H11ClN6O/c12-11-14-4-3-6(16-11)15-10(19)9-7(13)8(17-18-9)5-1-2-5/h3-5H,1-2,13H2,(H,17,18)(H,14,15,16,19)
InChIKeyPAUKDRVFSWIDPX-UHFFFAOYSA-N
XLogP1.57
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloropyrimidin-4-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-chloropyrimidin-4-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 116794674) is 4-amino-N-(2-chloropyrimidin-4-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-chloropyrimidin-4-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-chloropyrimidin-4-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is Nc1c(C(=O)Nc2ccnc(Cl)n2)n[nH]c1C1CC1.
What is the InChIKey of 4-amino-N-(2-chloropyrimidin-4-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is PAUKDRVFSWIDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6O/c12-11-14-4-3-6(16-11)15-10(19)9-7(13)8(17-18-9)5-1-2-5/h3-5H,1-2,13H2,(H,17,18)(H,14,15,16,19).
What are the key properties of 4-amino-N-(2-chloropyrimidin-4-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2-chloropyrimidin-4-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 278.70 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloropyrimidin-4-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 116794674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).