4-bromo-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

C11H14BrN5O — CID 19267338

IUPAC4-bromo-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)NCc2cnn(C)c2)n1
InChIInChI=1S/C11H14BrN5O/c1-3-17-7-9(12)10(15-17)11(18)13-4-8-5-14-16(2)6-8/h5-7H,3-4H2,1-2H3,(H,13,18)
InChIKeyQBFZXPVKVVJLRV-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.33
Rot. Bonds4

About 4-bromo-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

4-bromo-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19267338) has the molecular formula C11H14BrN5O and a molecular weight of 312.17 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID19267338
Molecular FormulaC11H14BrN5O
Molecular Weight312.17 g/mol
Exact Mass311.04
IUPAC Name4-bromo-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)NCc2cnn(C)c2)n1
InChIInChI=1S/C11H14BrN5O/c1-3-17-7-9(12)10(15-17)11(18)13-4-8-5-14-16(2)6-8/h5-7H,3-4H2,1-2H3,(H,13,18)
InChIKeyQBFZXPVKVVJLRV-UHFFFAOYSA-N
XLogP1.33
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-cycloheptyl-1-methylpyrazole-3-carboxamide
CID 903382
1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
4-bromo-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903308
(4-Bromo-2-methylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 1219595
N-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
CID 4768427
4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-3-carboxamide
CID 661401
(4-bromo-1-methyl-1H-pyrazol-3-yl)(4-bromo-1H-pyrazol-1-yl)methanone
CID 699658
4-Bromo-N,N,1-triethyl-1H-pyrazole-5-carboxamide
CID 4770548
4-bromo-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide
CID 4768660
4-bromo-N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-1-methyl-1H-pyrazole-3-carboxamide
CID 4769940
4-bromo-N-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-1-methyl-1H-pyrazole-3-carboxamide
CID 17020567
4-chloro-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19263329

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (CID 19267338) is 4-bromo-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)NCc2cnn(C)c2)n1.
What is the InChIKey of 4-bromo-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is QBFZXPVKVVJLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O/c1-3-17-7-9(12)10(15-17)11(18)13-4-8-5-14-16(2)6-8/h5-7H,3-4H2,1-2H3,(H,13,18).
What are the key properties of 4-bromo-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
4-bromo-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 312.17 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19267338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).