4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide

C15H19BrN4O — CID 120559345

IUPAC4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide
SMILESCC(N)CCC(=O)Nc1ccnn1Cc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN4O/c1-11(17)2-7-15(21)19-14-8-9-18-20(14)10-12-3-5-13(16)6-4-12/h3-6,8-9,11H,2,7,10,17H2,1H3,(H,19,21)
InChIKeyBFKYUZCONKZITP-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.76
Rot. Bonds6

About 4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide

4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide (PubChem CID 120559345) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide
PubChem CID120559345
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide
SMILESCC(N)CCC(=O)Nc1ccnn1Cc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN4O/c1-11(17)2-7-15(21)19-14-8-9-18-20(14)10-12-3-5-13(16)6-4-12/h3-6,8-9,11H,2,7,10,17H2,1H3,(H,19,21)
InChIKeyBFKYUZCONKZITP-UHFFFAOYSA-N
XLogP2.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
CID 86907615
2-(4-bromophenyl)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806526
4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide
CID 120559913
2,2,2-trifluoroethyl N-[3-[[2-[(4-bromophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]carbamate
CID 60560744
cis-(1R,2S)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-methylcyclopropane-1-carboxamide
CID 40972650
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 16564232
4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 120559352
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 34074376
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide
CID 55396911
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-hydroxyphenoxy)acetamide
CID 78813776
3-(1,3-benzothiazol-2-yl)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
CID 34074010
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 43032526

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide?
The IUPAC name of 4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide (CID 120559345) is 4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide.
What is the SMILES notation for 4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide?
The canonical SMILES for 4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide is CC(N)CCC(=O)Nc1ccnn1Cc1ccc(Br)cc1.
What is the InChIKey of 4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide?
The InChIKey is BFKYUZCONKZITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-11(17)2-7-15(21)19-14-8-9-18-20(14)10-12-3-5-13(16)6-4-12/h3-6,8-9,11H,2,7,10,17H2,1H3,(H,19,21).
What are the key properties of 4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide?
4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide has a molecular weight of 351.25 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide is sourced from PubChem (CID 120559345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).