N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(4-methylpiperazin-1-yl)propanamide

C19H26ClN5O — CID 157016154

IUPACN-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1cnn(Cc2cccc(Cl)c2)c1NC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C19H26ClN5O/c1-15-13-21-25(14-16-4-3-5-17(20)12-16)19(15)22-18(26)6-7-24-10-8-23(2)9-11-24/h3-5,12-13H,6-11,14H2,1-2H3,(H,22,26)
InChIKeyIGCFXQLNCNADFS-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.47
Rot. Bonds6

About N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(4-methylpiperazin-1-yl)propanamide

N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 157016154) has the molecular formula C19H26ClN5O and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID157016154
Molecular FormulaC19H26ClN5O
Molecular Weight375.90 g/mol
Exact Mass375.18
IUPAC NameN-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1cnn(Cc2cccc(Cl)c2)c1NC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C19H26ClN5O/c1-15-13-21-25(14-16-4-3-5-17(20)12-16)19(15)22-18(26)6-7-24-10-8-23(2)9-11-24/h3-5,12-13H,6-11,14H2,1-2H3,(H,22,26)
InChIKeyIGCFXQLNCNADFS-UHFFFAOYSA-N
XLogP2.47
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide;hydrochloride
CID 154903038
1-[(3-chlorophenyl)methyl]-4-methylpiperazine;oxalic acid
CID 45156065
1-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 118770678
3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19411510
N-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 110864352
1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepane
CID 764025
3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95331476
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19411503
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19337089
3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 110858181
2-(1-benzylpiperidin-4-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide
CID 134708490
methyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
CID 110399100

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(4-methylpiperazin-1-yl)propanamide (CID 157016154) is N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(4-methylpiperazin-1-yl)propanamide is Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)CCN1CCN(C)CC1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is IGCFXQLNCNADFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O/c1-15-13-21-25(14-16-4-3-5-17(20)12-16)19(15)22-18(26)6-7-24-10-8-23(2)9-11-24/h3-5,12-13H,6-11,14H2,1-2H3,(H,22,26).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(4-methylpiperazin-1-yl)propanamide?
N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 375.90 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 157016154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).