N-[1-(difluoromethyl)cyclopropyl]-1,3-dimethylpyrazole-4-carboxamide

C10H13F2N3O — CID 126772516

IUPACN-[1-(difluoromethyl)cyclopropyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NC1(C(F)F)CC1
InChIInChI=1S/C10H13F2N3O/c1-6-7(5-15(2)14-6)8(16)13-10(3-4-10)9(11)12/h5,9H,3-4H2,1-2H3,(H,13,16)
InChIKeyPCUPBIQWFVNPEV-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.26
Rot. Bonds3

About N-[1-(difluoromethyl)cyclopropyl]-1,3-dimethylpyrazole-4-carboxamide

N-[1-(difluoromethyl)cyclopropyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 126772516) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is N-[1-(difluoromethyl)cyclopropyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)cyclopropyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID126772516
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC NameN-[1-(difluoromethyl)cyclopropyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NC1(C(F)F)CC1
InChIInChI=1S/C10H13F2N3O/c1-6-7(5-15(2)14-6)8(16)13-10(3-4-10)9(11)12/h5,9H,3-4H2,1-2H3,(H,13,16)
InChIKeyPCUPBIQWFVNPEV-UHFFFAOYSA-N
XLogP1.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)cyclopropyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(difluoromethyl)cyclopropyl]-1,3-dimethylpyrazole-4-carboxamide (CID 126772516) is N-[1-(difluoromethyl)cyclopropyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(difluoromethyl)cyclopropyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(difluoromethyl)cyclopropyl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NC1(C(F)F)CC1.
What is the InChIKey of N-[1-(difluoromethyl)cyclopropyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is PCUPBIQWFVNPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c1-6-7(5-15(2)14-6)8(16)13-10(3-4-10)9(11)12/h5,9H,3-4H2,1-2H3,(H,13,16).
What are the key properties of N-[1-(difluoromethyl)cyclopropyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[1-(difluoromethyl)cyclopropyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 229.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)cyclopropyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 126772516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).