N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine

C15H21N5 — CID 95846697

IUPACN-[2-(3-methylpyrazol-1-yl)ethyl]-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
SMILESCc1ccn(CCNc2cccc([C@@H]3CCCN3)n2)n1
InChIInChI=1S/C15H21N5/c1-12-7-10-20(19-12)11-9-17-15-6-2-4-14(18-15)13-5-3-8-16-13/h2,4,6-7,10,13,16H,3,5,8-9,11H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyMOJMFIYODRWDNE-ZDUSSCGKSA-N
MW271.37 g/mol
LogP2.12
Rot. Bonds5

About N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine

N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine (PubChem CID 95846697) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylpyrazol-1-yl)ethyl]-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
PubChem CID95846697
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[2-(3-methylpyrazol-1-yl)ethyl]-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
SMILESCc1ccn(CCNc2cccc([C@@H]3CCCN3)n2)n1
InChIInChI=1S/C15H21N5/c1-12-7-10-20(19-12)11-9-17-15-6-2-4-14(18-15)13-5-3-8-16-13/h2,4,6-7,10,13,16H,3,5,8-9,11H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyMOJMFIYODRWDNE-ZDUSSCGKSA-N
XLogP2.12
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
The IUPAC name of N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine (CID 95846697) is N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine.
What is the SMILES notation for N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
The canonical SMILES for N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine is Cc1ccn(CCNc2cccc([C@@H]3CCCN3)n2)n1.
What is the InChIKey of N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
The InChIKey is MOJMFIYODRWDNE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5/c1-12-7-10-20(19-12)11-9-17-15-6-2-4-14(18-15)13-5-3-8-16-13/h2,4,6-7,10,13,16H,3,5,8-9,11H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine has a molecular weight of 271.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 95846697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).