N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide

C19H25ClN4O — CID 131913073

IUPACN-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCC1CCCN(c2ccc(Cl)cc2NC(=O)CCc2cnn(C)c2)C1
InChIInChI=1S/C19H25ClN4O/c1-14-4-3-9-24(12-14)18-7-6-16(20)10-17(18)22-19(25)8-5-15-11-21-23(2)13-15/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,22,25)
InChIKeyZZTQBRKWXTXMGA-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.88
Rot. Bonds5

About N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide

N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 131913073) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID131913073
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCC1CCCN(c2ccc(Cl)cc2NC(=O)CCc2cnn(C)c2)C1
InChIInChI=1S/C19H25ClN4O/c1-14-4-3-9-24(12-14)18-7-6-16(20)10-17(18)22-19(25)8-5-15-11-21-23(2)13-15/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,22,25)
InChIKeyZZTQBRKWXTXMGA-UHFFFAOYSA-N
XLogP3.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 131913211
N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35591649
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 55873986
3-(1,3-benzodioxol-5-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)propanamide
CID 16574876
N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35531684
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide
CID 18196017
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228
N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 109032944
N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87026855
N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 126583805
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide
CID 7892322
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 55870787

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 131913073) is N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide is CC1CCCN(c2ccc(Cl)cc2NC(=O)CCc2cnn(C)c2)C1.
What is the InChIKey of N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is ZZTQBRKWXTXMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-14-4-3-9-24(12-14)18-7-6-16(20)10-17(18)22-19(25)8-5-15-11-21-23(2)13-15/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,22,25).
What are the key properties of N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 360.89 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 131913073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).