2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-pyrazol-1-ylpropanamide

C19H32N4O3 — CID 67807319

IUPAC2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-pyrazol-1-ylpropanamide
SMILESNC(Cn1cccn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
InChIInChI=1S/C19H32N4O3/c20-15(12-23-10-4-9-21-23)19(26)22-16(11-13-5-2-1-3-6-13)18(25)17(24)14-7-8-14/h4,9-10,13-18,24-25H,1-3,5-8,11-12,20H2,(H,22,26)/t15?,16-,17-,18+/m0/s1
InChIKeyBGDQOUILWLLJBR-XFYFCPPXSA-N
MW364.49 g/mol
LogP0.80
Rot. Bonds9

About 2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-pyrazol-1-ylpropanamide

2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-pyrazol-1-ylpropanamide (PubChem CID 67807319) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-pyrazol-1-ylpropanamide
PubChem CID67807319
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-pyrazol-1-ylpropanamide
SMILESNC(Cn1cccn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
InChIInChI=1S/C19H32N4O3/c20-15(12-23-10-4-9-21-23)19(26)22-16(11-13-5-2-1-3-6-13)18(25)17(24)14-7-8-14/h4,9-10,13-18,24-25H,1-3,5-8,11-12,20H2,(H,22,26)/t15?,16-,17-,18+/m0/s1
InChIKeyBGDQOUILWLLJBR-XFYFCPPXSA-N
XLogP0.80
TPSA113.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of 2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-pyrazol-1-ylpropanamide (CID 67807319) is 2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for 2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for 2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-pyrazol-1-ylpropanamide is NC(Cn1cccn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1.
What is the InChIKey of 2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-pyrazol-1-ylpropanamide?
The InChIKey is BGDQOUILWLLJBR-XFYFCPPXSA-N. The full InChI is InChI=1S/C19H32N4O3/c20-15(12-23-10-4-9-21-23)19(26)22-16(11-13-5-2-1-3-6-13)18(25)17(24)14-7-8-14/h4,9-10,13-18,24-25H,1-3,5-8,11-12,20H2,(H,22,26)/t15?,16-,17-,18+/m0/s1.
What are the key properties of 2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-pyrazol-1-ylpropanamide?
2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-pyrazol-1-ylpropanamide has a molecular weight of 364.49 g/mol, XLogP of 0.80, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 67807319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).