(2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine

C15H26N4 — CID 97470990

IUPAC(2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(CC2CC2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C15H26N4/c1-17(2)14-6-7-19(11-12-4-5-12)15(14)8-13-9-16-18(3)10-13/h9-10,12,14-15H,4-8,11H2,1-3H3/t14-,15+/m1/s1
InChIKeyLHRMWLQJURQFGU-CABCVRRESA-N
MW262.40 g/mol
LogP1.38
Rot. Bonds5

About (2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine

(2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 97470990) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID97470990
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name(2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(CC2CC2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C15H26N4/c1-17(2)14-6-7-19(11-12-4-5-12)15(14)8-13-9-16-18(3)10-13/h9-10,12,14-15H,4-8,11H2,1-3H3/t14-,15+/m1/s1
InChIKeyLHRMWLQJURQFGU-CABCVRRESA-N
XLogP1.38
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine (CID 97470990) is (2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine is CN(C)[C@@H]1CCN(CC2CC2)[C@H]1Cc1cnn(C)c1.
What is the InChIKey of (2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is LHRMWLQJURQFGU-CABCVRRESA-N. The full InChI is InChI=1S/C15H26N4/c1-17(2)14-6-7-19(11-12-4-5-12)15(14)8-13-9-16-18(3)10-13/h9-10,12,14-15H,4-8,11H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of (2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
(2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 97470990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).