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

C11H18ClN3O — CID 114660910

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine
SMILESCCn1ncc(Cl)c1C(N)C1(OC)CCC1
InChIInChI=1S/C11H18ClN3O/c1-3-15-9(8(12)7-14-15)10(13)11(16-2)5-4-6-11/h7,10H,3-6,13H2,1-2H3
InChIKeyJXUDBQNHYGKDPQ-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.13
Rot. Bonds4

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

(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine (PubChem CID 114660910) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine
PubChem CID114660910
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine
SMILESCCn1ncc(Cl)c1C(N)C1(OC)CCC1
InChIInChI=1S/C11H18ClN3O/c1-3-15-9(8(12)7-14-15)10(13)11(16-2)5-4-6-11/h7,10H,3-6,13H2,1-2H3
InChIKeyJXUDBQNHYGKDPQ-UHFFFAOYSA-N
XLogP2.13
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660625
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine
CID 114662072
[(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-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
CID 105040461
(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-chloro-1-ethylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanol
CID 114645874
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661743
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660630

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine (CID 114660910) is (4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine is CCn1ncc(Cl)c1C(N)C1(OC)CCC1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine?
The InChIKey is JXUDBQNHYGKDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-3-15-9(8(12)7-14-15)10(13)11(16-2)5-4-6-11/h7,10H,3-6,13H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine?
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine has a molecular weight of 243.74 g/mol, XLogP of 2.13, 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-methoxycyclobutyl)methanamine is sourced from PubChem (CID 114660910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).