N-[1-[(3S)-1-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

C18H24N4O — CID 129330227

IUPACN-[1-[(3S)-1-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@H]2CCN([C@H](C)c3cccc(C)c3)C2)n1
InChIInChI=1S/C18H24N4O/c1-13-5-4-6-16(11-13)14(2)21-9-7-17(12-21)22-10-8-18(20-22)19-15(3)23/h4-6,8,10-11,14,17H,7,9,12H2,1-3H3,(H,19,20,23)/t14-,17+/m1/s1
InChIKeyHORRBARQLKWSJD-PBHICJAKSA-N
MW312.42 g/mol
LogP3.16
Rot. Bonds4

About N-[1-[(3S)-1-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

N-[1-[(3S)-1-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (PubChem CID 129330227) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[1-[(3S)-1-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3S)-1-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
PubChem CID129330227
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[1-[(3S)-1-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@H]2CCN([C@H](C)c3cccc(C)c3)C2)n1
InChIInChI=1S/C18H24N4O/c1-13-5-4-6-16(11-13)14(2)21-9-7-17(12-21)22-10-8-18(20-22)19-15(3)23/h4-6,8,10-11,14,17H,7,9,12H2,1-3H3,(H,19,20,23)/t14-,17+/m1/s1
InChIKeyHORRBARQLKWSJD-PBHICJAKSA-N
XLogP3.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-1-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[(3S)-1-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (CID 129330227) is N-[1-[(3S)-1-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[(3S)-1-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[(3S)-1-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn([C@H]2CCN([C@H](C)c3cccc(C)c3)C2)n1.
What is the InChIKey of N-[1-[(3S)-1-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The InChIKey is HORRBARQLKWSJD-PBHICJAKSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-5-4-6-16(11-13)14(2)21-9-7-17(12-21)22-10-8-18(20-22)19-15(3)23/h4-6,8,10-11,14,17H,7,9,12H2,1-3H3,(H,19,20,23)/t14-,17+/m1/s1.
What are the key properties of N-[1-[(3S)-1-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
N-[1-[(3S)-1-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide has a molecular weight of 312.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-1-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 129330227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).