N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine

C19H29N5O — CID 51104985

IUPACN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine
SMILESCOc1c(CNCc2ccc(N3CCCC3)nc2)c(C(C)C)nn1C
InChIInChI=1S/C19H29N5O/c1-14(2)18-16(19(25-4)23(3)22-18)13-20-11-15-7-8-17(21-12-15)24-9-5-6-10-24/h7-8,12,14,20H,5-6,9-11,13H2,1-4H3
InChIKeyQAPFUBCBKMGLLD-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.84
Rot. Bonds7

About N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine

N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine (PubChem CID 51104985) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine
PubChem CID51104985
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine
SMILESCOc1c(CNCc2ccc(N3CCCC3)nc2)c(C(C)C)nn1C
InChIInChI=1S/C19H29N5O/c1-14(2)18-16(19(25-4)23(3)22-18)13-20-11-15-7-8-17(21-12-15)24-9-5-6-10-24/h7-8,12,14,20H,5-6,9-11,13H2,1-4H3
InChIKeyQAPFUBCBKMGLLD-UHFFFAOYSA-N
XLogP2.84
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrrolidin-1-yl-3-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-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine?
The IUPAC name of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine (CID 51104985) is N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine is COc1c(CNCc2ccc(N3CCCC3)nc2)c(C(C)C)nn1C.
What is the InChIKey of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine?
The InChIKey is QAPFUBCBKMGLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-14(2)18-16(19(25-4)23(3)22-18)13-20-11-15-7-8-17(21-12-15)24-9-5-6-10-24/h7-8,12,14,20H,5-6,9-11,13H2,1-4H3.
What are the key properties of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine?
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine has a molecular weight of 343.48 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine is sourced from PubChem (CID 51104985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).