2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide

C14H20BrN5O — CID 19456491

IUPAC2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide
SMILESCc1c(CN(C)C(=O)C(C)(C)n2cc(Br)cn2)cnn1C
InChIInChI=1S/C14H20BrN5O/c1-10-11(6-16-19(10)5)8-18(4)13(21)14(2,3)20-9-12(15)7-17-20/h6-7,9H,8H2,1-5H3
InChIKeyVUVLQRQITJCJDS-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.08
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide

2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide (PubChem CID 19456491) has the molecular formula C14H20BrN5O and a molecular weight of 354.25 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide
PubChem CID19456491
Molecular FormulaC14H20BrN5O
Molecular Weight354.25 g/mol
Exact Mass353.09
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide
SMILESCc1c(CN(C)C(=O)C(C)(C)n2cc(Br)cn2)cnn1C
InChIInChI=1S/C14H20BrN5O/c1-10-11(6-16-19(10)5)8-18(4)13(21)14(2,3)20-9-12(15)7-17-20/h6-7,9H,8H2,1-5H3
InChIKeyVUVLQRQITJCJDS-UHFFFAOYSA-N
XLogP2.08
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-bromopyrazol-1-yl)-N,2-dimethylpropanamide
CID 19458573
2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide
CID 19460696
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
CID 19456413
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19278224
2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-oxoacetamide
CID 56877731
2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid
CID 79596439
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide
CID 22771483
2-[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482808
N-(4-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 17378412
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 19575688
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide
CID 19456305
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide
CID 19456480

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide (CID 19456491) is 2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide is Cc1c(CN(C)C(=O)C(C)(C)n2cc(Br)cn2)cnn1C.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide?
The InChIKey is VUVLQRQITJCJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O/c1-10-11(6-16-19(10)5)8-18(4)13(21)14(2,3)20-9-12(15)7-17-20/h6-7,9H,8H2,1-5H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide?
2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide has a molecular weight of 354.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 19456491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).