N-[1-(difluoromethyl)cyclopropyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide

C10H13F2N3O — CID 126768307

IUPACN-[1-(difluoromethyl)cyclopropyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC2(C(F)F)CC2)c1C
InChIInChI=1S/C10H13F2N3O/c1-5-6(2)14-15-7(5)8(16)13-10(3-4-10)9(11)12/h9H,3-4H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyOJEWYUOUUKUTGF-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.55
Rot. Bonds3

About N-[1-(difluoromethyl)cyclopropyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide

N-[1-(difluoromethyl)cyclopropyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 126768307) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is N-[1-(difluoromethyl)cyclopropyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)cyclopropyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID126768307
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC NameN-[1-(difluoromethyl)cyclopropyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC2(C(F)F)CC2)c1C
InChIInChI=1S/C10H13F2N3O/c1-5-6(2)14-15-7(5)8(16)13-10(3-4-10)9(11)12/h9H,3-4H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyOJEWYUOUUKUTGF-UHFFFAOYSA-N
XLogP1.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)cyclopropyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(difluoromethyl)cyclopropyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide (CID 126768307) is N-[1-(difluoromethyl)cyclopropyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(difluoromethyl)cyclopropyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(difluoromethyl)cyclopropyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NC2(C(F)F)CC2)c1C.
What is the InChIKey of N-[1-(difluoromethyl)cyclopropyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is OJEWYUOUUKUTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c1-5-6(2)14-15-7(5)8(16)13-10(3-4-10)9(11)12/h9H,3-4H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-[1-(difluoromethyl)cyclopropyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
N-[1-(difluoromethyl)cyclopropyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 229.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)cyclopropyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 126768307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).