3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide

C21H30N4O — CID 97435702

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide
SMILESCc1ccccc1[C@H]1CCN(CCNC(=O)CCc2c(C)n[nH]c2C)C1
InChIInChI=1S/C21H30N4O/c1-15-6-4-5-7-19(15)18-10-12-25(14-18)13-11-22-21(26)9-8-20-16(2)23-24-17(20)3/h4-7,18H,8-14H2,1-3H3,(H,22,26)(H,23,24)/t18-/m0/s1
InChIKeyYTYNASVOBYYGQQ-SFHVURJKSA-N
MW354.50 g/mol
LogP2.87
Rot. Bonds7

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide (PubChem CID 97435702) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide
PubChem CID97435702
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide
SMILESCc1ccccc1[C@H]1CCN(CCNC(=O)CCc2c(C)n[nH]c2C)C1
InChIInChI=1S/C21H30N4O/c1-15-6-4-5-7-19(15)18-10-12-25(14-18)13-11-22-21(26)9-8-20-16(2)23-24-17(20)3/h4-7,18H,8-14H2,1-3H3,(H,22,26)(H,23,24)/t18-/m0/s1
InChIKeyYTYNASVOBYYGQQ-SFHVURJKSA-N
XLogP2.87
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide (CID 97435702) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide is Cc1ccccc1[C@H]1CCN(CCNC(=O)CCc2c(C)n[nH]c2C)C1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide?
The InChIKey is YTYNASVOBYYGQQ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H30N4O/c1-15-6-4-5-7-19(15)18-10-12-25(14-18)13-11-22-21(26)9-8-20-16(2)23-24-17(20)3/h4-7,18H,8-14H2,1-3H3,(H,22,26)(H,23,24)/t18-/m0/s1.
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide has a molecular weight of 354.50 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide is sourced from PubChem (CID 97435702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).