tert-butyl 2-[(1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylate

C15H24N4O3 — CID 138014313

IUPACtert-butyl 2-[(1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylate
SMILESCn1cc(NC(=O)NC2CCCC2C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)22-13(20)11-6-5-7-12(11)18-14(21)17-10-8-16-19(4)9-10/h8-9,11-12H,5-7H2,1-4H3,(H2,17,18,21)
InChIKeySMUMYRMAJUMOLT-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.05
Rot. Bonds3

About tert-butyl 2-[(1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylate

tert-butyl 2-[(1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylate (PubChem CID 138014313) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl 2-[(1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylate
PubChem CID138014313
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nametert-butyl 2-[(1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylate
SMILESCn1cc(NC(=O)NC2CCCC2C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)22-13(20)11-6-5-7-12(11)18-14(21)17-10-8-16-19(4)9-10/h8-9,11-12H,5-7H2,1-4H3,(H2,17,18,21)
InChIKeySMUMYRMAJUMOLT-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 104844685
tert-butyl 2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 51079392
1-(3-ethylsulfanylcyclohexyl)-3-(1-methylpyrazol-4-yl)urea
CID 71978962
tert-butyl 2-(methylamino)cyclohexane-1-carboxylate
CID 70853538
cis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate
CID 151224928
3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide
CID 65264942
trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 11287994
trans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 102731415
3,3-dimethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 61198123
1-[3-(hydroxymethyl)pentan-3-yl]-3-(1-methylpyrazol-4-yl)urea
CID 111925907
(2R)-3,3-dimethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 103927622

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylate?
The IUPAC name of tert-butyl 2-[(1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylate (CID 138014313) is tert-butyl 2-[(1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylate is Cn1cc(NC(=O)NC2CCCC2C(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 2-[(1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylate?
The InChIKey is SMUMYRMAJUMOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-15(2,3)22-13(20)11-6-5-7-12(11)18-14(21)17-10-8-16-19(4)9-10/h8-9,11-12H,5-7H2,1-4H3,(H2,17,18,21).
What are the key properties of tert-butyl 2-[(1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylate?
tert-butyl 2-[(1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylate is sourced from PubChem (CID 138014313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).