(2R)-N-cyclohexyl-2-(2-methylpyrazol-3-yl)-N-propan-2-ylpropanamide

C16H27N3O — CID 164638360

IUPAC(2R)-N-cyclohexyl-2-(2-methylpyrazol-3-yl)-N-propan-2-ylpropanamide
SMILESCC(C)N(C(=O)[C@H](C)c1ccnn1C)C1CCCCC1
InChIInChI=1S/C16H27N3O/c1-12(2)19(14-8-6-5-7-9-14)16(20)13(3)15-10-11-17-18(15)4/h10-14H,5-9H2,1-4H3/t13-/m1/s1
InChIKeyUXJWAYJTZSJGKF-CYBMUJFWSA-N
MW277.41 g/mol
LogP3.09
Rot. Bonds4

About (2R)-N-cyclohexyl-2-(2-methylpyrazol-3-yl)-N-propan-2-ylpropanamide

(2R)-N-cyclohexyl-2-(2-methylpyrazol-3-yl)-N-propan-2-ylpropanamide (PubChem CID 164638360) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(2-methylpyrazol-3-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-(2-methylpyrazol-3-yl)-N-propan-2-ylpropanamide
PubChem CID164638360
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(2R)-N-cyclohexyl-2-(2-methylpyrazol-3-yl)-N-propan-2-ylpropanamide
SMILESCC(C)N(C(=O)[C@H](C)c1ccnn1C)C1CCCCC1
InChIInChI=1S/C16H27N3O/c1-12(2)19(14-8-6-5-7-9-14)16(20)13(3)15-10-11-17-18(15)4/h10-14H,5-9H2,1-4H3/t13-/m1/s1
InChIKeyUXJWAYJTZSJGKF-CYBMUJFWSA-N
XLogP3.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(2-methylpyrazol-3-yl)-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-(2-methylpyrazol-3-yl)-N-propan-2-ylpropanamide (CID 164638360) is (2R)-N-cyclohexyl-2-(2-methylpyrazol-3-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-(2-methylpyrazol-3-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-(2-methylpyrazol-3-yl)-N-propan-2-ylpropanamide is CC(C)N(C(=O)[C@H](C)c1ccnn1C)C1CCCCC1.
What is the InChIKey of (2R)-N-cyclohexyl-2-(2-methylpyrazol-3-yl)-N-propan-2-ylpropanamide?
The InChIKey is UXJWAYJTZSJGKF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)19(14-8-6-5-7-9-14)16(20)13(3)15-10-11-17-18(15)4/h10-14H,5-9H2,1-4H3/t13-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-(2-methylpyrazol-3-yl)-N-propan-2-ylpropanamide?
(2R)-N-cyclohexyl-2-(2-methylpyrazol-3-yl)-N-propan-2-ylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-(2-methylpyrazol-3-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 164638360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).