1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine

C13H18ClN3O — CID 114660695

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCCCn1ncc(Cl)c1C(NC)c1ccoc1C
InChIInChI=1S/C13H18ClN3O/c1-4-6-17-13(11(14)8-16-17)12(15-3)10-5-7-18-9(10)2/h5,7-8,12,15H,4,6H2,1-3H3
InChIKeyNGCLVELOJGWJAM-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.16
Rot. Bonds5

About 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine

1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (PubChem CID 114660695) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
PubChem CID114660695
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCCCn1ncc(Cl)c1C(NC)c1ccoc1C
InChIInChI=1S/C13H18ClN3O/c1-4-6-17-13(11(14)8-16-17)12(15-3)10-5-7-18-9(10)2/h5,7-8,12,15H,4,6H2,1-3H3
InChIKeyNGCLVELOJGWJAM-UHFFFAOYSA-N
XLogP3.16
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 114660712
1-(4-chloro-1-propylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 114649703
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105184016
1-(2-bromofuran-3-yl)-1-(4-chloro-1-ethylpyrazol-5-yl)-N-methylmethanamine
CID 106858624
1-(2-bromo-4-methylphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042561
1-(1-benzothiophen-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042658
1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105042630
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 105042480
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105042462
N-[(4-methoxy-1-propylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 114660721
1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106848796
1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042556

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (CID 114660695) is 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is CCCn1ncc(Cl)c1C(NC)c1ccoc1C.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The InChIKey is NGCLVELOJGWJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-4-6-17-13(11(14)8-16-17)12(15-3)10-5-7-18-9(10)2/h5,7-8,12,15H,4,6H2,1-3H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine has a molecular weight of 267.76 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 114660695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).