N-[(3R,4S)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide

C19H30N4O2 — CID 72866841

IUPACN-[(3R,4S)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide
SMILESCC(C)(C)C(=O)N1C[C@H](NC(=O)CCCc2cn[nH]c2)[C@@H](C2CC2)C1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)18(25)23-11-15(14-7-8-14)16(12-23)22-17(24)6-4-5-13-9-20-21-10-13/h9-10,14-16H,4-8,11-12H2,1-3H3,(H,20,21)(H,22,24)/t15-,16+/m1/s1
InChIKeyICJCHWIMIMEUTF-CVEARBPZSA-N
MW346.48 g/mol
LogP2.13
Rot. Bonds6

About N-[(3R,4S)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide

N-[(3R,4S)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide (PubChem CID 72866841) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide
PubChem CID72866841
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide
SMILESCC(C)(C)C(=O)N1C[C@H](NC(=O)CCCc2cn[nH]c2)[C@@H](C2CC2)C1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)18(25)23-11-15(14-7-8-14)16(12-23)22-17(24)6-4-5-13-9-20-21-10-13/h9-10,14-16H,4-8,11-12H2,1-3H3,(H,20,21)(H,22,24)/t15-,16+/m1/s1
InChIKeyICJCHWIMIMEUTF-CVEARBPZSA-N
XLogP2.13
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3R,4S)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide 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-[(3R,4S)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide (CID 72866841) is N-[(3R,4S)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide is CC(C)(C)C(=O)N1C[C@H](NC(=O)CCCc2cn[nH]c2)[C@@H](C2CC2)C1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide?
The InChIKey is ICJCHWIMIMEUTF-CVEARBPZSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-19(2,3)18(25)23-11-15(14-7-8-14)16(12-23)22-17(24)6-4-5-13-9-20-21-10-13/h9-10,14-16H,4-8,11-12H2,1-3H3,(H,20,21)(H,22,24)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide?
N-[(3R,4S)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide has a molecular weight of 346.48 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 72866841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).