2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide

C19H25BrN4O — CID 19551349

IUPAC2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(CN2CCCCC2)cc1)n1cc(Br)cn1
InChIInChI=1S/C19H25BrN4O/c1-2-18(24-14-16(20)12-21-24)19(25)22-17-8-6-15(7-9-17)13-23-10-4-3-5-11-23/h6-9,12,14,18H,2-5,10-11,13H2,1H3,(H,22,25)
InChIKeyRKWPZVKHRBTMJF-UHFFFAOYSA-N
MW405.34 g/mol
LogP4.22
Rot. Bonds6

About 2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide

2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide (PubChem CID 19551349) has the molecular formula C19H25BrN4O and a molecular weight of 405.34 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
PubChem CID19551349
Molecular FormulaC19H25BrN4O
Molecular Weight405.34 g/mol
Exact Mass404.12
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(CN2CCCCC2)cc1)n1cc(Br)cn1
InChIInChI=1S/C19H25BrN4O/c1-2-18(24-14-16(20)12-21-24)19(25)22-17-8-6-15(7-9-17)13-23-10-4-3-5-11-23/h6-9,12,14,18H,2-5,10-11,13H2,1H3,(H,22,25)
InChIKeyRKWPZVKHRBTMJF-UHFFFAOYSA-N
XLogP4.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]butanamide
CID 19338080
2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 103602575
2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19551410
2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 62639474
2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide
CID 19551491
2-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]butanamide
CID 19551422
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]butanamide
CID 19551481
2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide
CID 19549763
2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]butanamide
CID 19551375
2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]butanamide
CID 19551431

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide (CID 19551349) is 2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide is CCC(C(=O)Nc1ccc(CN2CCCCC2)cc1)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide?
The InChIKey is RKWPZVKHRBTMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4O/c1-2-18(24-14-16(20)12-21-24)19(25)22-17-8-6-15(7-9-17)13-23-10-4-3-5-11-23/h6-9,12,14,18H,2-5,10-11,13H2,1H3,(H,22,25).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide?
2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide has a molecular weight of 405.34 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 19551349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).