N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide

C20H29N5O2 — CID 91834521

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCOCc1cc(CNC(=O)CCN2CCN(c3cccc(C)c3)CC2)[nH]n1
InChIInChI=1S/C20H29N5O2/c1-16-4-3-5-19(12-16)25-10-8-24(9-11-25)7-6-20(26)21-14-17-13-18(15-27-2)23-22-17/h3-5,12-13H,6-11,14-15H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyCOUQJRXJCCLGKZ-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.69
Rot. Bonds8

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide (PubChem CID 91834521) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
PubChem CID91834521
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCOCc1cc(CNC(=O)CCN2CCN(c3cccc(C)c3)CC2)[nH]n1
InChIInChI=1S/C20H29N5O2/c1-16-4-3-5-19(12-16)25-10-8-24(9-11-25)7-6-20(26)21-14-17-13-18(15-27-2)23-22-17/h3-5,12-13H,6-11,14-15H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyCOUQJRXJCCLGKZ-UHFFFAOYSA-N
XLogP1.69
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781
3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide
CID 97204759
3-[4-(3-methylphenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide
CID 70731987
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131930494
(2S)-2-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoylamino]propanoic acid
CID 119943282
N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029405
3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride
CID 119513309
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420
N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 119402779
N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029431

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide (CID 91834521) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide is COCc1cc(CNC(=O)CCN2CCN(c3cccc(C)c3)CC2)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The InChIKey is COUQJRXJCCLGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-16-4-3-5-19(12-16)25-10-8-24(9-11-25)7-6-20(26)21-14-17-13-18(15-27-2)23-22-17/h3-5,12-13H,6-11,14-15H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide has a molecular weight of 371.49 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 91834521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).