[(3R)-3-(3-amino-1-tert-butylpyrazol-5-yl)cyclopentyl]-propan-2-ylcarbamic acid

C16H28N4O2 — CID 170451319

IUPAC[(3R)-3-(3-amino-1-tert-butylpyrazol-5-yl)cyclopentyl]-propan-2-ylcarbamic acid
SMILESCC(C)N(C(=O)O)C1CC[C@@H](c2cc(N)nn2C(C)(C)C)C1
InChIInChI=1S/C16H28N4O2/c1-10(2)19(15(21)22)12-7-6-11(8-12)13-9-14(17)18-20(13)16(3,4)5/h9-12H,6-8H2,1-5H3,(H2,17,18)(H,21,22)/t11-,12?/m1/s1
InChIKeyDAQIPHNPHLFVOY-JHJMLUEUSA-N
MW308.43 g/mol
LogP3.24
Rot. Bonds3

About [(3R)-3-(3-amino-1-tert-butylpyrazol-5-yl)cyclopentyl]-propan-2-ylcarbamic acid

[(3R)-3-(3-amino-1-tert-butylpyrazol-5-yl)cyclopentyl]-propan-2-ylcarbamic acid (PubChem CID 170451319) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is [(3R)-3-(3-amino-1-tert-butylpyrazol-5-yl)cyclopentyl]-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name[(3R)-3-(3-amino-1-tert-butylpyrazol-5-yl)cyclopentyl]-propan-2-ylcarbamic acid
PubChem CID170451319
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name[(3R)-3-(3-amino-1-tert-butylpyrazol-5-yl)cyclopentyl]-propan-2-ylcarbamic acid
SMILESCC(C)N(C(=O)O)C1CC[C@@H](c2cc(N)nn2C(C)(C)C)C1
InChIInChI=1S/C16H28N4O2/c1-10(2)19(15(21)22)12-7-6-11(8-12)13-9-14(17)18-20(13)16(3,4)5/h9-12H,6-8H2,1-5H3,(H2,17,18)(H,21,22)/t11-,12?/m1/s1
InChIKeyDAQIPHNPHLFVOY-JHJMLUEUSA-N
XLogP3.24
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (1S,5R)-6-(3-amino-1-propan-2-ylpyrazol-5-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 134961959
(2S)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid
CID 90233480
tert-butyl 4-(3-amino-1-isopropyl-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 90292805
3-(5-Amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid
CID 91366166
Tert-butyl 4-(3-amino-1-methylpyrazol-5-yl)piperidine-1-carboxylate
CID 121374505
4-(5-Amino-1-methoxycarbonylpyrazol-3-yl)piperidine-1-carboxylic acid
CID 123756974
3-(5-Amino-1-cyclohexylpyrazol-3-yl)azetidine-1-carboxylic acid
CID 129024118
tert-butyl 3-amino-5-cyclopentyl-1H-pyrazole-1-carboxylate
CID 142752063
propan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate
CID 164518714
butan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate
CID 164518719
propyl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate
CID 164518721
1-[(1R)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]-4,4-dimethylimidazolidin-2-one
CID 164879653

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3-amino-1-tert-butylpyrazol-5-yl)cyclopentyl]-propan-2-ylcarbamic acid?
The IUPAC name of [(3R)-3-(3-amino-1-tert-butylpyrazol-5-yl)cyclopentyl]-propan-2-ylcarbamic acid (CID 170451319) is [(3R)-3-(3-amino-1-tert-butylpyrazol-5-yl)cyclopentyl]-propan-2-ylcarbamic acid.
What is the SMILES notation for [(3R)-3-(3-amino-1-tert-butylpyrazol-5-yl)cyclopentyl]-propan-2-ylcarbamic acid?
The canonical SMILES for [(3R)-3-(3-amino-1-tert-butylpyrazol-5-yl)cyclopentyl]-propan-2-ylcarbamic acid is CC(C)N(C(=O)O)C1CC[C@@H](c2cc(N)nn2C(C)(C)C)C1.
What is the InChIKey of [(3R)-3-(3-amino-1-tert-butylpyrazol-5-yl)cyclopentyl]-propan-2-ylcarbamic acid?
The InChIKey is DAQIPHNPHLFVOY-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-10(2)19(15(21)22)12-7-6-11(8-12)13-9-14(17)18-20(13)16(3,4)5/h9-12H,6-8H2,1-5H3,(H2,17,18)(H,21,22)/t11-,12?/m1/s1.
What are the key properties of [(3R)-3-(3-amino-1-tert-butylpyrazol-5-yl)cyclopentyl]-propan-2-ylcarbamic acid?
[(3R)-3-(3-amino-1-tert-butylpyrazol-5-yl)cyclopentyl]-propan-2-ylcarbamic acid has a molecular weight of 308.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3-amino-1-tert-butylpyrazol-5-yl)cyclopentyl]-propan-2-ylcarbamic acid is sourced from PubChem (CID 170451319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).