(4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine

C14H24ClN3O — CID 114661747

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)C1(OCC)CCCC1
InChIInChI=1S/C14H24ClN3O/c1-3-9-18-12(11(15)10-17-18)13(16)14(19-4-2)7-5-6-8-14/h10,13H,3-9,16H2,1-2H3
InChIKeyDYQSKDZLEZSMAN-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.30
Rot. Bonds6

About (4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine

(4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine (PubChem CID 114661747) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
PubChem CID114661747
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)C1(OCC)CCCC1
InChIInChI=1S/C14H24ClN3O/c1-3-9-18-12(11(15)10-17-18)13(16)14(19-4-2)7-5-6-8-14/h10,13H,3-9,16H2,1-2H3
InChIKeyDYQSKDZLEZSMAN-UHFFFAOYSA-N
XLogP3.30
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine
CID 114662072
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661743
(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 114662026
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660625
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine
CID 114660910
(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine
CID 114661932
(4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine
CID 114661903
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660630
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine
CID 114662044
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylcyclopentyl)methanamine
CID 105054611
[(1-ethoxycyclopentyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105275736

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine (CID 114661747) is (4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine is CCCn1ncc(Cl)c1C(N)C1(OCC)CCCC1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine?
The InChIKey is DYQSKDZLEZSMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-3-9-18-12(11(15)10-17-18)13(16)14(19-4-2)7-5-6-8-14/h10,13H,3-9,16H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine?
(4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine has a molecular weight of 285.82 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine is sourced from PubChem (CID 114661747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).