4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline

C15H21ClN4 — CID 105184141

IUPAC4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline
SMILESCCCn1ncc(Cl)c1C(N)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H21ClN4/c1-4-9-20-15(13(16)10-18-20)14(17)11-5-7-12(8-6-11)19(2)3/h5-8,10,14H,4,9,17H2,1-3H3
InChIKeyKCMNRSIDFQHHQM-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.06
Rot. Bonds5

About 4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline

4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline (PubChem CID 105184141) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline
PubChem CID105184141
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline
SMILESCCCn1ncc(Cl)c1C(N)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H21ClN4/c1-4-9-20-15(13(16)10-18-20)14(17)11-5-7-12(8-6-11)19(2)3/h5-8,10,14H,4,9,17H2,1-3H3
InChIKeyKCMNRSIDFQHHQM-UHFFFAOYSA-N
XLogP3.06
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine
CID 106848481
(4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
CID 105184173
(4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503108
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105042598
4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline
CID 105103926
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 114656882
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine
CID 114646633
(4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine
CID 105042547
[(4-chloro-1-propylpyrazol-5-yl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105194048
(4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine
CID 105042475
(4-chloro-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969126
(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 105040696

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline (CID 105184141) is 4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline is CCCn1ncc(Cl)c1C(N)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline?
The InChIKey is KCMNRSIDFQHHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-4-9-20-15(13(16)10-18-20)14(17)11-5-7-12(8-6-11)19(2)3/h5-8,10,14H,4,9,17H2,1-3H3.
What are the key properties of 4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline?
4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline has a molecular weight of 292.81 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105184141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).