cyclopropylmethyl 3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxylate

C15H23N3O2 — CID 167879364

IUPACcyclopropylmethyl 3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxylate
SMILESCn1cc(C2CN(C(=O)OCC3CC3)CC2(C)C)cn1
InChIInChI=1S/C15H23N3O2/c1-15(2)10-18(14(19)20-9-11-4-5-11)8-13(15)12-6-16-17(3)7-12/h6-7,11,13H,4-5,8-10H2,1-3H3
InChIKeyYPHABVBVVQTLNB-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.39
Rot. Bonds3

About cyclopropylmethyl 3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxylate

cyclopropylmethyl 3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxylate (PubChem CID 167879364) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is cyclopropylmethyl 3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxylate
PubChem CID167879364
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namecyclopropylmethyl 3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxylate
SMILESCn1cc(C2CN(C(=O)OCC3CC3)CC2(C)C)cn1
InChIInChI=1S/C15H23N3O2/c1-15(2)10-18(14(19)20-9-11-4-5-11)8-13(15)12-6-16-17(3)7-12/h6-7,11,13H,4-5,8-10H2,1-3H3
InChIKeyYPHABVBVVQTLNB-UHFFFAOYSA-N
XLogP2.39
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 138005162
[3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone
CID 154802217
4-bromo-N-[2-[3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 167898886
[3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
CID 167838500
(6-chloro-4-methyl-2-pyridinyl)-[3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 138039211
tert-butyl N-[4-[2-[3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]carbamate
CID 167848474
cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288981
N-[3-[3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
CID 166407340
tert-butyl 2-[3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-4-fluoro-2,3-dihydroindole-1-carboxylate
CID 167799155
3,4-dihydro-1H-isochromen-6-yl-[3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 167902135
[3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone
CID 167815112
tert-butyl N-[3-[3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-2-fluorophenyl]carbamate
CID 167973544

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxylate?
The IUPAC name of cyclopropylmethyl 3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxylate (CID 167879364) is cyclopropylmethyl 3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for cyclopropylmethyl 3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for cyclopropylmethyl 3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxylate is Cn1cc(C2CN(C(=O)OCC3CC3)CC2(C)C)cn1.
What is the InChIKey of cyclopropylmethyl 3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxylate?
The InChIKey is YPHABVBVVQTLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2)10-18(14(19)20-9-11-4-5-11)8-13(15)12-6-16-17(3)7-12/h6-7,11,13H,4-5,8-10H2,1-3H3.
What are the key properties of cyclopropylmethyl 3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxylate?
cyclopropylmethyl 3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 167879364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).