1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine

C15H27ClN4 — CID 114656983

IUPAC1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCCNC(c1c(Cl)cnn1CC)C1(N(C)C)CCCC1
InChIInChI=1S/C15H27ClN4/c1-5-17-14(13-12(16)11-18-20(13)6-2)15(19(3)4)9-7-8-10-15/h11,14,17H,5-10H2,1-4H3
InChIKeyCSRCAXZYMYREMO-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.08
Rot. Bonds6

About 1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine

1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 114656983) has the molecular formula C15H27ClN4 and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID114656983
Molecular FormulaC15H27ClN4
Molecular Weight298.86 g/mol
Exact Mass298.19
IUPAC Name1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCCNC(c1c(Cl)cnn1CC)C1(N(C)C)CCCC1
InChIInChI=1S/C15H27ClN4/c1-5-17-14(13-12(16)11-18-20(13)6-2)15(19(3)4)9-7-8-10-15/h11,14,17H,5-10H2,1-4H3
InChIKeyCSRCAXZYMYREMO-UHFFFAOYSA-N
XLogP3.08
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
CID 105040484
1-[(4-chloro-1-propylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243209
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105040912
[(4-chloro-1-ethylpyrazol-5-yl)-(1-ethylcyclopentyl)methyl]hydrazine
CID 105336392
2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114660941
2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658260
(4-chloro-1-propylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanol
CID 114644567
[(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methyl]hydrazine
CID 105270313
(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
CID 105040461
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105040884
1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 114657117
1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 114657058

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine (CID 114656983) is 1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine is CCNC(c1c(Cl)cnn1CC)C1(N(C)C)CCCC1.
What is the InChIKey of 1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is CSRCAXZYMYREMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4/c1-5-17-14(13-12(16)11-18-20(13)6-2)15(19(3)4)9-7-8-10-15/h11,14,17H,5-10H2,1-4H3.
What are the key properties of 1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 298.86 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114656983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).