N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine

C16H23ClN4 — CID 106755877

IUPACN-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc(C)c1)c1c(Cl)cnn1CCC
InChIInChI=1S/C16H23ClN4/c1-4-7-19-15(13-6-8-18-12(3)10-13)16-14(17)11-20-21(16)9-5-2/h6,8,10-11,15,19H,4-5,7,9H2,1-3H3
InChIKeyBFIKAIPNKLIBAM-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.74
Rot. Bonds7

About N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine

N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine (PubChem CID 106755877) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
PubChem CID106755877
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC NameN-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc(C)c1)c1c(Cl)cnn1CCC
InChIInChI=1S/C16H23ClN4/c1-4-7-19-15(13-6-8-18-12(3)10-13)16-14(17)11-20-21(16)9-5-2/h6,8,10-11,15,19H,4-5,7,9H2,1-3H3
InChIKeyBFIKAIPNKLIBAM-UHFFFAOYSA-N
XLogP3.74
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755859
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444702
2-[4-chloro-5-[hydrazinyl-(2-methyl-4-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 106756701
N-[(4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105183147
N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042548
N-[(2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]propan-1-amine
CID 114649324
N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine
CID 105184021
N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 114659668
N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114647242
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755909
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
CID 105042520
N-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine
CID 114658631

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine (CID 106755877) is N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccnc(C)c1)c1c(Cl)cnn1CCC.
What is the InChIKey of N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is BFIKAIPNKLIBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-4-7-19-15(13-6-8-18-12(3)10-13)16-14(17)11-20-21(16)9-5-2/h6,8,10-11,15,19H,4-5,7,9H2,1-3H3.
What are the key properties of N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 306.84 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 106755877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).