tert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate

C15H24N4O3 — CID 169248595

IUPACtert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate
SMILESCn1ccc(C(=O)NC2CCC(NC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)22-14(21)17-11-6-5-10(9-11)16-13(20)12-7-8-19(4)18-12/h7-8,10-11H,5-6,9H2,1-4H3,(H,16,20)(H,17,21)
InChIKeyNQOKLDHSACIOJO-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.60
Rot. Bonds3

About tert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate

tert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate (PubChem CID 169248595) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate
PubChem CID169248595
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nametert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate
SMILESCn1ccc(C(=O)NC2CCC(NC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)22-14(21)17-11-6-5-10(9-11)16-13(20)12-7-8-19(4)18-12/h7-8,10-11H,5-6,9H2,1-4H3,(H,16,20)(H,17,21)
InChIKeyNQOKLDHSACIOJO-UHFFFAOYSA-N
XLogP1.60
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 168910444
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CID 103120955
tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
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tert-butyl N-[(1S,3S)-3-[(5-iodopyrimidin-2-yl)amino]cyclopentyl]carbamate
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N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide
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tert-butyl N-[(1S,3S)-3-[(4-tert-butylbenzoyl)amino]cyclohexyl]carbamate
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tert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate
CID 103719905
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate
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tert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate
CID 75451047
tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
CID 107849928
tert-butyl N-[(3S)-3-[(6-bromo-1,2,4-triazin-3-yl)amino]cyclopentyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate (CID 169248595) is tert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate is Cn1ccc(C(=O)NC2CCC(NC(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate?
The InChIKey is NQOKLDHSACIOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-15(2,3)22-14(21)17-11-6-5-10(9-11)16-13(20)12-7-8-19(4)18-12/h7-8,10-11H,5-6,9H2,1-4H3,(H,16,20)(H,17,21).
What are the key properties of tert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate?
tert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 169248595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).