1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine

C14H28N4 — CID 54866652

IUPAC1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine
SMILESCCN(CC)CCn1cc(NC(C)C(C)C)cn1
InChIInChI=1S/C14H28N4/c1-6-17(7-2)8-9-18-11-14(10-15-18)16-13(5)12(3)4/h10-13,16H,6-9H2,1-5H3
InChIKeyMJPPLCPSQXZIOZ-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.68
Rot. Bonds8

About 1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine

1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine (PubChem CID 54866652) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine
PubChem CID54866652
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine
SMILESCCN(CC)CCn1cc(NC(C)C(C)C)cn1
InChIInChI=1S/C14H28N4/c1-6-17(7-2)8-9-18-11-14(10-15-18)16-13(5)12(3)4/h10-13,16H,6-9H2,1-5H3
InChIKeyMJPPLCPSQXZIOZ-UHFFFAOYSA-N
XLogP2.68
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate
CID 66172738
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide
CID 62638227
2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 54867250
3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 81411037
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide
CID 47927357
5-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpentanamide
CID 104684262
2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol
CID 115922691
1-[2-(diethylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine
CID 62658494
3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide
CID 81071014
1-[2-(diethylamino)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine
CID 60938257
3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
CID 115972346
1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine
CID 54866641

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine (CID 54866652) is 1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine is CCN(CC)CCn1cc(NC(C)C(C)C)cn1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine?
The InChIKey is MJPPLCPSQXZIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-6-17(7-2)8-9-18-11-14(10-15-18)16-13(5)12(3)4/h10-13,16H,6-9H2,1-5H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine?
1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine has a molecular weight of 252.41 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine is sourced from PubChem (CID 54866652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).