N-methyl-1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]methanamine

C14H20N4 — CID 66439553

IUPACN-methyl-1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]methanamine
SMILESCCCc1c(CNC)cnn1-c1cc(C)ccn1
InChIInChI=1S/C14H20N4/c1-4-5-13-12(9-15-3)10-17-18(13)14-8-11(2)6-7-16-14/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyCRUMOGHLMDTVTQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.25
Rot. Bonds5

About N-methyl-1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]methanamine

N-methyl-1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]methanamine (PubChem CID 66439553) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-methyl-1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]methanamine
PubChem CID66439553
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-methyl-1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]methanamine
SMILESCCCc1c(CNC)cnn1-c1cc(C)ccn1
InChIInChI=1S/C14H20N4/c1-4-5-13-12(9-15-3)10-17-18(13)14-8-11(2)6-7-16-14/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyCRUMOGHLMDTVTQ-UHFFFAOYSA-N
XLogP2.25
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]methanamine (CID 66439553) is N-methyl-1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]methanamine is CCCc1c(CNC)cnn1-c1cc(C)ccn1.
What is the InChIKey of N-methyl-1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]methanamine?
The InChIKey is CRUMOGHLMDTVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-5-13-12(9-15-3)10-17-18(13)14-8-11(2)6-7-16-14/h6-8,10,15H,4-5,9H2,1-3H3.
What are the key properties of N-methyl-1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]methanamine?
N-methyl-1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]methanamine is sourced from PubChem (CID 66439553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).