4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide

C15H15BrN6O3 — CID 19511407

IUPAC4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2[nH]ncc2Br)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C15H15BrN6O3/c1-2-22-8-11(19-15(24)12-10(16)7-18-20-12)13(21-22)14(23)17-6-9-4-3-5-25-9/h3-5,7-8H,2,6H2,1H3,(H,17,23)(H,18,20)(H,19,24)
InChIKeyAYNLDGZFVYDFEY-UHFFFAOYSA-N
MW407.23 g/mol
LogP2.16
Rot. Bonds6

About 4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide

4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 19511407) has the molecular formula C15H15BrN6O3 and a molecular weight of 407.23 g/mol. Its IUPAC name is 4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID19511407
Molecular FormulaC15H15BrN6O3
Molecular Weight407.23 g/mol
Exact Mass406.04
IUPAC Name4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2[nH]ncc2Br)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C15H15BrN6O3/c1-2-22-8-11(19-15(24)12-10(16)7-18-20-12)13(21-22)14(23)17-6-9-4-3-5-25-9/h3-5,7-8H,2,6H2,1H3,(H,17,23)(H,18,20)(H,19,24)
InChIKeyAYNLDGZFVYDFEY-UHFFFAOYSA-N
XLogP2.16
TPSA117.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.23
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-bromobenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400207
1-ethyl-N-(furan-2-ylmethyl)-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19475701
1-ethyl-N-(furan-2-ylmethyl)-4-[(2-methylbenzoyl)amino]pyrazole-3-carboxamide
CID 19400381
4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19561846
1-ethyl-N-(furan-2-ylmethyl)-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]pyrazole-3-carboxamide
CID 19511102
1-ethyl-N-(furan-2-ylmethyl)-4-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19264021
4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400329
1-ethyl-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 19472207
1-ethyl-N-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide
CID 19400334
1-ethyl-N-(furan-2-ylmethyl)-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19264682
1-ethyl-N-(furan-2-ylmethyl)-4-[(3-methoxybenzoyl)amino]pyrazole-3-carboxamide
CID 19400201
4-[(5-chloro-2-methoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400331

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide (CID 19511407) is 4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is CCn1cc(NC(=O)c2[nH]ncc2Br)c(C(=O)NCc2ccco2)n1.
What is the InChIKey of 4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is AYNLDGZFVYDFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6O3/c1-2-22-8-11(19-15(24)12-10(16)7-18-20-12)13(21-22)14(23)17-6-9-4-3-5-25-9/h3-5,7-8H,2,6H2,1H3,(H,17,23)(H,18,20)(H,19,24).
What are the key properties of 4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 407.23 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19511407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).