4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide

C9H12F2N4O — CID 115405300

IUPAC4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)NCC(F)F)n[nH]c1C1CC1
InChIInChI=1S/C9H12F2N4O/c10-5(11)3-13-9(16)8-6(12)7(14-15-8)4-1-2-4/h4-5H,1-3,12H2,(H,13,16)(H,14,15)
InChIKeyMHSYWLJZXYNPDN-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.86
Rot. Bonds4

About 4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide

4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 115405300) has the molecular formula C9H12F2N4O and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID115405300
Molecular FormulaC9H12F2N4O
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)NCC(F)F)n[nH]c1C1CC1
InChIInChI=1S/C9H12F2N4O/c10-5(11)3-13-9(16)8-6(12)7(14-15-8)4-1-2-4/h4-5H,1-3,12H2,(H,13,16)(H,14,15)
InChIKeyMHSYWLJZXYNPDN-UHFFFAOYSA-N
XLogP0.86
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 115405291
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CID 106333015
4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide (CID 115405300) is 4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide is Nc1c(C(=O)NCC(F)F)n[nH]c1C1CC1.
What is the InChIKey of 4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is MHSYWLJZXYNPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4O/c10-5(11)3-13-9(16)8-6(12)7(14-15-8)4-1-2-4/h4-5H,1-3,12H2,(H,13,16)(H,14,15).
What are the key properties of 4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 230.22 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 115405300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).