N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxolan-3-ylmethyl)pyrazol-3-amine

C16H26N4O — CID 75498331

IUPACN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxolan-3-ylmethyl)pyrazol-3-amine
SMILESCC1CC(Nc2ccnn2CC2CCOC2)CN1C1CC1
InChIInChI=1S/C16H26N4O/c1-12-8-14(10-19(12)15-2-3-15)18-16-4-6-17-20(16)9-13-5-7-21-11-13/h4,6,12-15,18H,2-3,5,7-11H2,1H3
InChIKeyFPLPJJACKCPSGZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.96
Rot. Bonds5

About N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxolan-3-ylmethyl)pyrazol-3-amine

N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxolan-3-ylmethyl)pyrazol-3-amine (PubChem CID 75498331) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxolan-3-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxolan-3-ylmethyl)pyrazol-3-amine
PubChem CID75498331
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxolan-3-ylmethyl)pyrazol-3-amine
SMILESCC1CC(Nc2ccnn2CC2CCOC2)CN1C1CC1
InChIInChI=1S/C16H26N4O/c1-12-8-14(10-19(12)15-2-3-15)18-16-4-6-17-20(16)9-13-5-7-21-11-13/h4,6,12-15,18H,2-3,5,7-11H2,1H3
InChIKeyFPLPJJACKCPSGZ-UHFFFAOYSA-N
XLogP1.96
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxolan-3-ylmethyl)pyrazol-3-amine?
The IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxolan-3-ylmethyl)pyrazol-3-amine (CID 75498331) is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxolan-3-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxolan-3-ylmethyl)pyrazol-3-amine?
The canonical SMILES for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxolan-3-ylmethyl)pyrazol-3-amine is CC1CC(Nc2ccnn2CC2CCOC2)CN1C1CC1.
What is the InChIKey of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxolan-3-ylmethyl)pyrazol-3-amine?
The InChIKey is FPLPJJACKCPSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-8-14(10-19(12)15-2-3-15)18-16-4-6-17-20(16)9-13-5-7-21-11-13/h4,6,12-15,18H,2-3,5,7-11H2,1H3.
What are the key properties of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxolan-3-ylmethyl)pyrazol-3-amine?
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxolan-3-ylmethyl)pyrazol-3-amine has a molecular weight of 290.41 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxolan-3-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 75498331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).