4-chloro-1-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide

C10H9ClF3N5O — CID 19263822

IUPAC4-chloro-1-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(F)(F)F)c1NC(=O)c1nn(C)cc1Cl
InChIInChI=1S/C10H9ClF3N5O/c1-4-6(8(17-16-4)10(12,13)14)15-9(20)7-5(11)3-19(2)18-7/h3H,1-2H3,(H,15,20)(H,16,17)
InChIKeyUMTIDWIIFVNVEZ-UHFFFAOYSA-N
MW307.66 g/mol
LogP2.38
Rot. Bonds2

About 4-chloro-1-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide

4-chloro-1-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19263822) has the molecular formula C10H9ClF3N5O and a molecular weight of 307.66 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID19263822
Molecular FormulaC10H9ClF3N5O
Molecular Weight307.66 g/mol
Exact Mass307.04
IUPAC Name4-chloro-1-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(F)(F)F)c1NC(=O)c1nn(C)cc1Cl
InChIInChI=1S/C10H9ClF3N5O/c1-4-6(8(17-16-4)10(12,13)14)15-9(20)7-5(11)3-19(2)18-7/h3H,1-2H3,(H,15,20)(H,16,17)
InChIKeyUMTIDWIIFVNVEZ-UHFFFAOYSA-N
XLogP2.38
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.66
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide (CID 19263822) is 4-chloro-1-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide is Cc1[nH]nc(C(F)(F)F)c1NC(=O)c1nn(C)cc1Cl.
What is the InChIKey of 4-chloro-1-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is UMTIDWIIFVNVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N5O/c1-4-6(8(17-16-4)10(12,13)14)15-9(20)7-5(11)3-19(2)18-7/h3H,1-2H3,(H,15,20)(H,16,17).
What are the key properties of 4-chloro-1-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
4-chloro-1-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 307.66 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19263822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).