(3S)-5-methyl-3-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]hexanoic acid

C15H25N3O3 — CID 65493485

IUPAC(3S)-5-methyl-3-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]hexanoic acid
SMILESCc1nn(C)c(C)c1C(=O)NC[C@H](CC(=O)O)CC(C)C
InChIInChI=1S/C15H25N3O3/c1-9(2)6-12(7-13(19)20)8-16-15(21)14-10(3)17-18(5)11(14)4/h9,12H,6-8H2,1-5H3,(H,16,21)(H,19,20)/t12-/m0/s1
InChIKeyICBHXBMXDVNXFZ-LBPRGKRZSA-N
MW295.38 g/mol
LogP1.90
Rot. Bonds7

About (3S)-5-methyl-3-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]hexanoic acid

(3S)-5-methyl-3-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]hexanoic acid (PubChem CID 65493485) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3S)-5-methyl-3-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]hexanoic acid.

Molecular Properties

Compound Name(3S)-5-methyl-3-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]hexanoic acid
PubChem CID65493485
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(3S)-5-methyl-3-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]hexanoic acid
SMILESCc1nn(C)c(C)c1C(=O)NC[C@H](CC(=O)O)CC(C)C
InChIInChI=1S/C15H25N3O3/c1-9(2)6-12(7-13(19)20)8-16-15(21)14-10(3)17-18(5)11(14)4/h9,12H,6-8H2,1-5H3,(H,16,21)(H,19,20)/t12-/m0/s1
InChIKeyICBHXBMXDVNXFZ-LBPRGKRZSA-N
XLogP1.90
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-5-methyl-3-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]hexanoic acid with MolForge

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Related Compounds

N-(2-bromopropyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114308682
N-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 64541906
N-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 106117786
(3S)-3-[[(2,6-dihydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 107688084
methyl 2-hydroxy-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate
CID 103879555
(3S)-3-[[(1,5-dimethylpyrrole-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65494915
5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid
CID 65492256
(3S)-3-[[(1,3-dimethylpyrazol-4-yl)carbamoylamino]methyl]-5-methylhexanoic acid
CID 102806615
N-(3-bromobutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114312498
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111697460
3-[[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]methyl]-5-methylhexanoic acid
CID 107499022
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119526828

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methyl-3-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]hexanoic acid?
The IUPAC name of (3S)-5-methyl-3-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]hexanoic acid (CID 65493485) is (3S)-5-methyl-3-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]hexanoic acid.
What is the SMILES notation for (3S)-5-methyl-3-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]hexanoic acid?
The canonical SMILES for (3S)-5-methyl-3-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]hexanoic acid is Cc1nn(C)c(C)c1C(=O)NC[C@H](CC(=O)O)CC(C)C.
What is the InChIKey of (3S)-5-methyl-3-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]hexanoic acid?
The InChIKey is ICBHXBMXDVNXFZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-9(2)6-12(7-13(19)20)8-16-15(21)14-10(3)17-18(5)11(14)4/h9,12H,6-8H2,1-5H3,(H,16,21)(H,19,20)/t12-/m0/s1.
What are the key properties of (3S)-5-methyl-3-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]hexanoic acid?
(3S)-5-methyl-3-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]hexanoic acid has a molecular weight of 295.38 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methyl-3-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]hexanoic acid is sourced from PubChem (CID 65493485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).