N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine

C19H24N4S — CID 46982724

IUPACN-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
SMILESCCCn1ncc(CN(Cc2cccnc2)Cc2ccsc2)c1C
InChIInChI=1S/C19H24N4S/c1-3-8-23-16(2)19(11-21-23)14-22(13-18-6-9-24-15-18)12-17-5-4-7-20-10-17/h4-7,9-11,15H,3,8,12-14H2,1-2H3
InChIKeyURJRIPLDJIAHKV-UHFFFAOYSA-N
MW340.50 g/mol
LogP4.26
Rot. Bonds8

About N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine

N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 46982724) has the molecular formula C19H24N4S and a molecular weight of 340.50 g/mol. Its IUPAC name is N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
PubChem CID46982724
Molecular FormulaC19H24N4S
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC NameN-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
SMILESCCCn1ncc(CN(Cc2cccnc2)Cc2ccsc2)c1C
InChIInChI=1S/C19H24N4S/c1-3-8-23-16(2)19(11-21-23)14-22(13-18-6-9-24-15-18)12-17-5-4-7-20-10-17/h4-7,9-11,15H,3,8,12-14H2,1-2H3
InChIKeyURJRIPLDJIAHKV-UHFFFAOYSA-N
XLogP4.26
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine (CID 46982724) is N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine is CCCn1ncc(CN(Cc2cccnc2)Cc2ccsc2)c1C.
What is the InChIKey of N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is URJRIPLDJIAHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S/c1-3-8-23-16(2)19(11-21-23)14-22(13-18-6-9-24-15-18)12-17-5-4-7-20-10-17/h4-7,9-11,15H,3,8,12-14H2,1-2H3.
What are the key properties of N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 340.50 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 46982724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).