(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[1-(ethoxymethyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide

C17H26N4O3 — CID 167843838

IUPAC(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[1-(ethoxymethyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide
SMILESCCOCC1(C(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3C)C2)CC1
InChIInChI=1S/C17H26N4O3/c1-4-24-10-17(5-6-17)16(23)21-8-13(14(9-21)15(18)22)12-7-19-20(3)11(12)2/h7,13-14H,4-6,8-10H2,1-3H3,(H2,18,22)/t13-,14+/m1/s1
InChIKeyWPCJQIAYUJQYCW-KGLIPLIRSA-N
MW334.42 g/mol
LogP0.57
Rot. Bonds6

About (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[1-(ethoxymethyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide

(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[1-(ethoxymethyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide (PubChem CID 167843838) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[1-(ethoxymethyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[1-(ethoxymethyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide
PubChem CID167843838
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[1-(ethoxymethyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide
SMILESCCOCC1(C(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3C)C2)CC1
InChIInChI=1S/C17H26N4O3/c1-4-24-10-17(5-6-17)16(23)21-8-13(14(9-21)15(18)22)12-7-19-20(3)11(12)2/h7,13-14H,4-6,8-10H2,1-3H3,(H2,18,22)/t13-,14+/m1/s1
InChIKeyWPCJQIAYUJQYCW-KGLIPLIRSA-N
XLogP0.57
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[1-(ethoxymethyl)cyclopropanecarbonyl]pyrrolidine-3-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

(3R,4S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 167752897
(3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 154800374
(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 167987924
(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide
CID 154800186
trans-(1R,2S)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
CID 91647637
trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
CID 124512028
2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride
CID 122198975
2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 79584605
ethyl 4-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate
CID 30178904
(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 122155895
[(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(2-hydroxyethyl)piperidin-3-yl]-phenylmethanone
CID 173119660
(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrrol-2-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 154761919

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[1-(ethoxymethyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[1-(ethoxymethyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide (CID 167843838) is (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[1-(ethoxymethyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[1-(ethoxymethyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[1-(ethoxymethyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide is CCOCC1(C(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3C)C2)CC1.
What is the InChIKey of (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[1-(ethoxymethyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide?
The InChIKey is WPCJQIAYUJQYCW-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-4-24-10-17(5-6-17)16(23)21-8-13(14(9-21)15(18)22)12-7-19-20(3)11(12)2/h7,13-14H,4-6,8-10H2,1-3H3,(H2,18,22)/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[1-(ethoxymethyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide?
(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[1-(ethoxymethyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[1-(ethoxymethyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 167843838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).