N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide

C18H30N4O2 — CID 133130538

IUPACN-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)N[C@@H]1CN(CCO)C[C@H]1C1CC1
InChIInChI=1S/C18H30N4O2/c1-4-22-17(9-15(20-22)12(2)3)18(24)19-16-11-21(7-8-23)10-14(16)13-5-6-13/h9,12-14,16,23H,4-8,10-11H2,1-3H3,(H,19,24)/t14-,16+/m0/s1
InChIKeyVLCXWKGWAOMEIO-GOEBONIOSA-N
MW334.46 g/mol
LogP1.46
Rot. Bonds7

About N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide

N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 133130538) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID133130538
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)N[C@@H]1CN(CCO)C[C@H]1C1CC1
InChIInChI=1S/C18H30N4O2/c1-4-22-17(9-15(20-22)12(2)3)18(24)19-16-11-21(7-8-23)10-14(16)13-5-6-13/h9,12-14,16,23H,4-8,10-11H2,1-3H3,(H,19,24)/t14-,16+/m0/s1
InChIKeyVLCXWKGWAOMEIO-GOEBONIOSA-N
XLogP1.46
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide (CID 133130538) is N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)N[C@@H]1CN(CCO)C[C@H]1C1CC1.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is VLCXWKGWAOMEIO-GOEBONIOSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-4-22-17(9-15(20-22)12(2)3)18(24)19-16-11-21(7-8-23)10-14(16)13-5-6-13/h9,12-14,16,23H,4-8,10-11H2,1-3H3,(H,19,24)/t14-,16+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 133130538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).