4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide

C14H20BrN5O — CID 19478610

IUPAC4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(C)Cc2c(C)nn(C)c2C)c1Br
InChIInChI=1S/C14H20BrN5O/c1-8-11(10(3)19(5)16-8)7-18(4)14(21)13-12(15)9(2)17-20(13)6/h7H2,1-6H3
InChIKeyTUJRSNRVNAECFW-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.11
Rot. Bonds3

About 4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide

4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide (PubChem CID 19478610) has the molecular formula C14H20BrN5O and a molecular weight of 354.25 g/mol. Its IUPAC name is 4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
PubChem CID19478610
Molecular FormulaC14H20BrN5O
Molecular Weight354.25 g/mol
Exact Mass353.09
IUPAC Name4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(C)Cc2c(C)nn(C)c2C)c1Br
InChIInChI=1S/C14H20BrN5O/c1-8-11(10(3)19(5)16-8)7-18(4)14(21)13-12(15)9(2)17-20(13)6/h7H2,1-6H3
InChIKeyTUJRSNRVNAECFW-UHFFFAOYSA-N
XLogP2.11
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid
CID 19623887
4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19277979
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 64686967
2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19485845
N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 70716625
1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 119067480
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 115318737
4-bromo-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480388
N-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxamide
CID 154784788
4-(2-hydroxy-5-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 122567311
N-[(2-bromophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30750044

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide (CID 19478610) is 4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide is Cc1nn(C)c(C(=O)N(C)Cc2c(C)nn(C)c2C)c1Br.
What is the InChIKey of 4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is TUJRSNRVNAECFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O/c1-8-11(10(3)19(5)16-8)7-18(4)14(21)13-12(15)9(2)17-20(13)6/h7H2,1-6H3.
What are the key properties of 4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 354.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 19478610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).