1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine

C12H23N3O — CID 43729075

IUPAC1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine
SMILESCOCCn1cc(NC(C)CC(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-10(2)7-11(3)14-12-8-13-15(9-12)5-6-16-4/h8-11,14H,5-7H2,1-4H3
InChIKeyKBDOYXGYADKVRW-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.38
Rot. Bonds7

About 1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine

1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine (PubChem CID 43729075) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine
PubChem CID43729075
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine
SMILESCOCCn1cc(NC(C)CC(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-10(2)7-11(3)14-12-8-13-15(9-12)5-6-16-4/h8-11,14H,5-7H2,1-4H3
InChIKeyKBDOYXGYADKVRW-UHFFFAOYSA-N
XLogP2.38
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine
CID 103388669
N-[(2S)-1-methoxypropan-2-yl]-1-propylpyrazol-4-amine
CID 97338513
1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine
CID 43729083
1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine
CID 43728870
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine
CID 43729057
1-(2-methoxyethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]pyrazol-4-amine
CID 43728912
(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-4-methylpentanoic acid
CID 78976075
methyl N-[(2R)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 95148726
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 83117285
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(1-methoxypropan-2-yl)thiourea
CID 113226468
1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 56814238

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine (CID 43729075) is 1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine is COCCn1cc(NC(C)CC(C)C)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine?
The InChIKey is KBDOYXGYADKVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(2)7-11(3)14-12-8-13-15(9-12)5-6-16-4/h8-11,14H,5-7H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine?
1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine has a molecular weight of 225.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine is sourced from PubChem (CID 43729075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).