N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(imidazol-1-ylmethyl)-N-methylcyclopropane-1-carboxamide

C16H23N5O — CID 118795104

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(imidazol-1-ylmethyl)-N-methylcyclopropane-1-carboxamide
SMILESCc1cc(C)n(CCN(C)C(=O)C2(Cn3ccnc3)CC2)n1
InChIInChI=1S/C16H23N5O/c1-13-10-14(2)21(18-13)9-8-19(3)15(22)16(4-5-16)11-20-7-6-17-12-20/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeySYVCMVRHZHTEPM-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.64
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(imidazol-1-ylmethyl)-N-methylcyclopropane-1-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(imidazol-1-ylmethyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 118795104) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(imidazol-1-ylmethyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(imidazol-1-ylmethyl)-N-methylcyclopropane-1-carboxamide
PubChem CID118795104
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(imidazol-1-ylmethyl)-N-methylcyclopropane-1-carboxamide
SMILESCc1cc(C)n(CCN(C)C(=O)C2(Cn3ccnc3)CC2)n1
InChIInChI=1S/C16H23N5O/c1-13-10-14(2)21(18-13)9-8-19(3)15(22)16(4-5-16)11-20-7-6-17-12-20/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeySYVCMVRHZHTEPM-UHFFFAOYSA-N
XLogP1.64
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(imidazol-1-ylmethyl)-N-methylcyclopropane-1-carboxamide 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

1-(imidazol-1-ylmethyl)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide
CID 125173289
3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide
CID 114230520
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide
CID 119060682
3-(2,6-dimethyl-4-pyridinyl)-1-(2-imidazol-1-ylethyl)-1-methylurea
CID 167968519
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 91832275
(3S)-3-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylcarbamoyl]amino]-5-methylhexanoic acid
CID 126436725
(3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylcarbamoyl]amino]-5-methylhexanoic acid
CID 126436726
(3R)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 25377204
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 45202568
(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 97280494
N-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 131920217
2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide
CID 72902089

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(imidazol-1-ylmethyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(imidazol-1-ylmethyl)-N-methylcyclopropane-1-carboxamide (CID 118795104) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(imidazol-1-ylmethyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(imidazol-1-ylmethyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(imidazol-1-ylmethyl)-N-methylcyclopropane-1-carboxamide is Cc1cc(C)n(CCN(C)C(=O)C2(Cn3ccnc3)CC2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(imidazol-1-ylmethyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is SYVCMVRHZHTEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-13-10-14(2)21(18-13)9-8-19(3)15(22)16(4-5-16)11-20-7-6-17-12-20/h6-7,10,12H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(imidazol-1-ylmethyl)-N-methylcyclopropane-1-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(imidazol-1-ylmethyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(imidazol-1-ylmethyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 118795104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).