N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-methylhexanamide

C13H23N3O3 — CID 141377139

IUPACN-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-methylhexanamide
SMILESCCCCC(C)C(=O)Nc1ccn(C[C@@H](O)CO)n1
InChIInChI=1S/C13H23N3O3/c1-3-4-5-10(2)13(19)14-12-6-7-16(15-12)8-11(18)9-17/h6-7,10-11,17-18H,3-5,8-9H2,1-2H3,(H,14,15,19)/t10?,11-/m1/s1
InChIKeyJZFJWDGFQKSTPK-RRKGBCIJSA-N
MW269.35 g/mol
LogP1.00
Rot. Bonds8

About N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-methylhexanamide

N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-methylhexanamide (PubChem CID 141377139) has the molecular formula C13H23N3O3 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-methylhexanamide.

Molecular Properties

Compound NameN-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-methylhexanamide
PubChem CID141377139
Molecular FormulaC13H23N3O3
Molecular Weight269.35 g/mol
Exact Mass269.17
IUPAC NameN-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-methylhexanamide
SMILESCCCCC(C)C(=O)Nc1ccn(C[C@@H](O)CO)n1
InChIInChI=1S/C13H23N3O3/c1-3-4-5-10(2)13(19)14-12-6-7-16(15-12)8-11(18)9-17/h6-7,10-11,17-18H,3-5,8-9H2,1-2H3,(H,14,15,19)/t10?,11-/m1/s1
InChIKeyJZFJWDGFQKSTPK-RRKGBCIJSA-N
XLogP1.00
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-methylhexanamide?
The IUPAC name of N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-methylhexanamide (CID 141377139) is N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-methylhexanamide.
What is the SMILES notation for N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-methylhexanamide?
The canonical SMILES for N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-methylhexanamide is CCCCC(C)C(=O)Nc1ccn(C[C@@H](O)CO)n1.
What is the InChIKey of N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-methylhexanamide?
The InChIKey is JZFJWDGFQKSTPK-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-4-5-10(2)13(19)14-12-6-7-16(15-12)8-11(18)9-17/h6-7,10-11,17-18H,3-5,8-9H2,1-2H3,(H,14,15,19)/t10?,11-/m1/s1.
What are the key properties of N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-methylhexanamide?
N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-methylhexanamide has a molecular weight of 269.35 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-methylhexanamide is sourced from PubChem (CID 141377139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).