1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one

C20H29N5O — CID 72872154

IUPAC1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCC(c3nccn3CC3CC3)CC2)c1C
InChIInChI=1S/C20H29N5O/c1-14-15(2)22-23-18(14)5-6-19(26)24-10-7-17(8-11-24)20-21-9-12-25(20)13-16-3-4-16/h9,12,16-17H,3-8,10-11,13H2,1-2H3,(H,22,23)
InChIKeyYIFFJBNEEXKKIZ-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.97
Rot. Bonds6

About 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one

1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one (PubChem CID 72872154) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
PubChem CID72872154
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCC(c3nccn3CC3CC3)CC2)c1C
InChIInChI=1S/C20H29N5O/c1-14-15(2)22-23-18(14)5-6-19(26)24-10-7-17(8-11-24)20-21-9-12-25(20)13-16-3-4-16/h9,12,16-17H,3-8,10-11,13H2,1-2H3,(H,22,23)
InChIKeyYIFFJBNEEXKKIZ-UHFFFAOYSA-N
XLogP2.97
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 70706175
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one
CID 91833490
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one
CID 91940797
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70735998
1-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
CID 70711459
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72850820
[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 70728553
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one
CID 70713988
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one
CID 72903798
1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 72851264
3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 72861368
2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 70765708

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
The IUPAC name of 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one (CID 72872154) is 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one is Cc1[nH]nc(CCC(=O)N2CCC(c3nccn3CC3CC3)CC2)c1C.
What is the InChIKey of 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
The InChIKey is YIFFJBNEEXKKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-14-15(2)22-23-18(14)5-6-19(26)24-10-7-17(8-11-24)20-21-9-12-25(20)13-16-3-4-16/h9,12,16-17H,3-8,10-11,13H2,1-2H3,(H,22,23).
What are the key properties of 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one has a molecular weight of 355.49 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one is sourced from PubChem (CID 72872154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).