[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone

C15H26N4O — CID 120803983

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC(C)(CN)C2)cnn1C(C)(C)C
InChIInChI=1S/C15H26N4O/c1-11-12(8-17-19(11)14(2,3)4)13(20)18-7-6-15(5,9-16)10-18/h8H,6-7,9-10,16H2,1-5H3
InChIKeyYDCKEVPMRNAHJU-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.76
Rot. Bonds2

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone (PubChem CID 120803983) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone
PubChem CID120803983
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC(C)(CN)C2)cnn1C(C)(C)C
InChIInChI=1S/C15H26N4O/c1-11-12(8-17-19(11)14(2,3)4)13(20)18-7-6-15(5,9-16)10-18/h8H,6-7,9-10,16H2,1-5H3
InChIKeyYDCKEVPMRNAHJU-UHFFFAOYSA-N
XLogP1.76
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methanone;hydrochloride
CID 120807474
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120805504
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone;hydrochloride
CID 120806262
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120806462
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 120805781
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 120805641
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120805300
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 120806072
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 120807071
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-cyclopropyl-1-phenylpyrazol-4-yl)methanone
CID 120806575
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone;hydrochloride
CID 120807392
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120804378

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone (CID 120803983) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone is Cc1c(C(=O)N2CCC(C)(CN)C2)cnn1C(C)(C)C.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone?
The InChIKey is YDCKEVPMRNAHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-12(8-17-19(11)14(2,3)4)13(20)18-7-6-15(5,9-16)10-18/h8H,6-7,9-10,16H2,1-5H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone has a molecular weight of 278.40 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 120803983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).