N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine

C17H25N5O — CID 51104949

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine
SMILESCOc1c(CNCc2ccnc(N3CCCC3)c2)c(C)nn1C
InChIInChI=1S/C17H25N5O/c1-13-15(17(23-3)21(2)20-13)12-18-11-14-6-7-19-16(10-14)22-8-4-5-9-22/h6-7,10,18H,4-5,8-9,11-12H2,1-3H3
InChIKeyYTANTPAIDJCJMP-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.02
Rot. Bonds6

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine (PubChem CID 51104949) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine
PubChem CID51104949
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine
SMILESCOc1c(CNCc2ccnc(N3CCCC3)c2)c(C)nn1C
InChIInChI=1S/C17H25N5O/c1-13-15(17(23-3)21(2)20-13)12-18-11-14-6-7-19-16(10-14)22-8-4-5-9-22/h6-7,10,18H,4-5,8-9,11-12H2,1-3H3
InChIKeyYTANTPAIDJCJMP-UHFFFAOYSA-N
XLogP2.02
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine 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 N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine (CID 51104949) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine is COc1c(CNCc2ccnc(N3CCCC3)c2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine?
The InChIKey is YTANTPAIDJCJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13-15(17(23-3)21(2)20-13)12-18-11-14-6-7-19-16(10-14)22-8-4-5-9-22/h6-7,10,18H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine has a molecular weight of 315.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine is sourced from PubChem (CID 51104949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).