(2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide

C19H32N4O2 — CID 124739584

IUPAC(2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide
SMILESCc1nn(C)cc1[C@H](C)NC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O
InChIInChI=1S/C19H32N4O2/c1-12-7-8-18(24)15(10-12)17-6-5-9-23(17)19(25)20-13(2)16-11-22(4)21-14(16)3/h11-13,15,17-18,24H,5-10H2,1-4H3,(H,20,25)/t12-,13+,15+,17-,18-/m1/s1
InChIKeySYIMBSDNTZLQFX-FUCBWJFKSA-N
MW348.49 g/mol
LogP2.76
Rot. Bonds3

About (2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide

(2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide (PubChem CID 124739584) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide
PubChem CID124739584
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name(2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide
SMILESCc1nn(C)cc1[C@H](C)NC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O
InChIInChI=1S/C19H32N4O2/c1-12-7-8-18(24)15(10-12)17-6-5-9-23(17)19(25)20-13(2)16-11-22(4)21-14(16)3/h11-13,15,17-18,24H,5-10H2,1-4H3,(H,20,25)/t12-,13+,15+,17-,18-/m1/s1
InChIKeySYIMBSDNTZLQFX-FUCBWJFKSA-N
XLogP2.76
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide (CID 124739584) is (2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide is Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O.
What is the InChIKey of (2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide?
The InChIKey is SYIMBSDNTZLQFX-FUCBWJFKSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-12-7-8-18(24)15(10-12)17-6-5-9-23(17)19(25)20-13(2)16-11-22(4)21-14(16)3/h11-13,15,17-18,24H,5-10H2,1-4H3,(H,20,25)/t12-,13+,15+,17-,18-/m1/s1.
What are the key properties of (2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide?
(2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124739584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).