(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine

C12H20ClN3O — CID 114660625

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
SMILESCCn1ncc(Cl)c1C(N)C1(OC)CCCC1
InChIInChI=1S/C12H20ClN3O/c1-3-16-10(9(13)8-15-16)11(14)12(17-2)6-4-5-7-12/h8,11H,3-7,14H2,1-2H3
InChIKeyYFQUGDGAHSTBLR-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.52
Rot. Bonds4

About (4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine

(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine (PubChem CID 114660625) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
PubChem CID114660625
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
SMILESCCn1ncc(Cl)c1C(N)C1(OC)CCCC1
InChIInChI=1S/C12H20ClN3O/c1-3-16-10(9(13)8-15-16)11(14)12(17-2)6-4-5-7-12/h8,11H,3-7,14H2,1-2H3
InChIKeyYFQUGDGAHSTBLR-UHFFFAOYSA-N
XLogP2.52
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine
CID 114660910
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine
CID 114662072
(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
CID 105040461
[(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methyl]hydrazine
CID 105270313
(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopropyl)methanamine
CID 114658531
(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 114662026
(4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661747
(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine
CID 114661932
(4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine
CID 114650869
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660630
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanol
CID 114645874
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine
CID 114662044

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine (CID 114660625) is (4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine is CCn1ncc(Cl)c1C(N)C1(OC)CCCC1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine?
The InChIKey is YFQUGDGAHSTBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-3-16-10(9(13)8-15-16)11(14)12(17-2)6-4-5-7-12/h8,11H,3-7,14H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine?
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine has a molecular weight of 257.76 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine is sourced from PubChem (CID 114660625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).