(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine

C12H18ClN5 — CID 105183128

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
SMILESCCc1cc(C(N)c2c(Cl)cnn2CC)n(C)n1
InChIInChI=1S/C12H18ClN5/c1-4-8-6-10(17(3)16-8)11(14)12-9(13)7-15-18(12)5-2/h6-7,11H,4-5,14H2,1-3H3
InChIKeyABPYVJDMXMGBHO-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.90
Rot. Bonds4

About (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine

(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine (PubChem CID 105183128) has the molecular formula C12H18ClN5 and a molecular weight of 267.76 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
PubChem CID105183128
Molecular FormulaC12H18ClN5
Molecular Weight267.76 g/mol
Exact Mass267.13
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
SMILESCCc1cc(C(N)c2c(Cl)cnn2CC)n(C)n1
InChIInChI=1S/C12H18ClN5/c1-4-8-6-10(17(3)16-8)11(14)12-9(13)7-15-18(12)5-2/h6-7,11H,4-5,14H2,1-3H3
InChIKeyABPYVJDMXMGBHO-UHFFFAOYSA-N
XLogP1.90
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
CID 105185920
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812843
(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 105127642
2-[5-[amino-(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105182395
(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine
CID 114646613
(4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659171
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040808
(3-ethyl-1-methylpyrazol-5-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107331991
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105040526
(4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105040745
(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopropyl)methanamine
CID 114658531
1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648699

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine (CID 105183128) is (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine is CCc1cc(C(N)c2c(Cl)cnn2CC)n(C)n1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine?
The InChIKey is ABPYVJDMXMGBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5/c1-4-8-6-10(17(3)16-8)11(14)12-9(13)7-15-18(12)5-2/h6-7,11H,4-5,14H2,1-3H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine?
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine has a molecular weight of 267.76 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105183128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).