3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide

C19H25BrN4O — CID 19565638

IUPAC3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
SMILESCc1nn(CCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1Br
InChIInChI=1S/C19H25BrN4O/c1-15-18(20)14-24(22-15)12-9-19(25)21-17-7-5-16(6-8-17)13-23-10-3-2-4-11-23/h5-8,14H,2-4,9-13H2,1H3,(H,21,25)
InChIKeyMPKRNYMFOBAFED-UHFFFAOYSA-N
MW405.34 g/mol
LogP3.97
Rot. Bonds6

About 3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide

3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide (PubChem CID 19565638) has the molecular formula C19H25BrN4O and a molecular weight of 405.34 g/mol. Its IUPAC name is 3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
PubChem CID19565638
Molecular FormulaC19H25BrN4O
Molecular Weight405.34 g/mol
Exact Mass404.12
IUPAC Name3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
SMILESCc1nn(CCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1Br
InChIInChI=1S/C19H25BrN4O/c1-15-18(20)14-24(22-15)12-9-19(25)21-17-7-5-16(6-8-17)13-23-10-3-2-4-11-23/h5-8,14H,2-4,9-13H2,1H3,(H,21,25)
InChIKeyMPKRNYMFOBAFED-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
CID 19561959
1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 19474862
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739357
3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19565700
N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 3292281
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416093
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116
4-hydroxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79200789
3-(4-bromo-3-methylpyrazol-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]propanamide
CID 19565653
3-(4-bromo-3-methylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]propanamide
CID 19565652
3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 60854515
3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19565666

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide (CID 19565638) is 3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide is Cc1nn(CCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1Br.
What is the InChIKey of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
The InChIKey is MPKRNYMFOBAFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4O/c1-15-18(20)14-24(22-15)12-9-19(25)21-17-7-5-16(6-8-17)13-23-10-3-2-4-11-23/h5-8,14H,2-4,9-13H2,1H3,(H,21,25).
What are the key properties of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide has a molecular weight of 405.34 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 19565638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).