4-chloro-N,N,5-trimethyl-1H-pyrazole-3-carboxamide

C7H10ClN3O — CID 153485704

IUPAC4-chloro-N,N,5-trimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)C)c1Cl
InChIInChI=1S/C7H10ClN3O/c1-4-5(8)6(10-9-4)7(12)11(2)3/h1-3H3,(H,9,10)
InChIKeyLLNUIMXPCRUQAK-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.07
Rot. Bonds1

About 4-chloro-N,N,5-trimethyl-1H-pyrazole-3-carboxamide

4-chloro-N,N,5-trimethyl-1H-pyrazole-3-carboxamide (PubChem CID 153485704) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 4-chloro-N,N,5-trimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N,N,5-trimethyl-1H-pyrazole-3-carboxamide
PubChem CID153485704
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name4-chloro-N,N,5-trimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)C)c1Cl
InChIInChI=1S/C7H10ClN3O/c1-4-5(8)6(10-9-4)7(12)11(2)3/h1-3H3,(H,9,10)
InChIKeyLLNUIMXPCRUQAK-UHFFFAOYSA-N
XLogP1.07
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N,5-trimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N,N,5-trimethyl-1H-pyrazole-3-carboxamide (CID 153485704) is 4-chloro-N,N,5-trimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N,N,5-trimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N,N,5-trimethyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N(C)C)c1Cl.
What is the InChIKey of 4-chloro-N,N,5-trimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is LLNUIMXPCRUQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-4-5(8)6(10-9-4)7(12)11(2)3/h1-3H3,(H,9,10).
What are the key properties of 4-chloro-N,N,5-trimethyl-1H-pyrazole-3-carboxamide?
4-chloro-N,N,5-trimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 187.63 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N,5-trimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 153485704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).