1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine

C14H26N4O — CID 54866641

IUPAC1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine
SMILESCCN(CC)CCn1cc(NCC2CCOC2)cn1
InChIInChI=1S/C14H26N4O/c1-3-17(4-2)6-7-18-11-14(10-16-18)15-9-13-5-8-19-12-13/h10-11,13,15H,3-9,12H2,1-2H3
InChIKeyCNNSBAPGPIDIMK-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.67
Rot. Bonds8

About 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine

1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine (PubChem CID 54866641) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine
PubChem CID54866641
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine
SMILESCCN(CC)CCn1cc(NCC2CCOC2)cn1
InChIInChI=1S/C14H26N4O/c1-3-17(4-2)6-7-18-11-14(10-16-18)15-9-13-5-8-19-12-13/h10-11,13,15H,3-9,12H2,1-2H3
InChIKeyCNNSBAPGPIDIMK-UHFFFAOYSA-N
XLogP1.67
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(oxan-4-yl)-1H-pyrazol-4-amine
CID 43608643
1-((oxolan-3-yl)methyl)-1H-pyrazol-4-amine hydrochloride
CID 90484295
N-[(2S)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
CID 97338511
2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide
CID 97428010
1-(Oxolan-3-ylmethyl)pyrazole-4-ylamine
CID 25248678
N-(3-methyloxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 68053188
3-[4-[(3R)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]pyrazol-1-yl]bicyclo[1.1.1]pentan-1-amine
CID 169221060
4-[[1-(3-Aminopropyl)pyrazol-4-yl]amino]-2-fluorobutan-1-ol
CID 178767706
N-(oxolan-3-ylmethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 64177316
3-(ethoxymethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 71980671
1-(2,2-difluoroethyl)-N-(oxan-4-ylmethyl)pyrazol-4-amine
CID 75393028
1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-amine
CID 79770928

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine (CID 54866641) is 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine is CCN(CC)CCn1cc(NCC2CCOC2)cn1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine?
The InChIKey is CNNSBAPGPIDIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-3-17(4-2)6-7-18-11-14(10-16-18)15-9-13-5-8-19-12-13/h10-11,13,15H,3-9,12H2,1-2H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine?
1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine has a molecular weight of 266.39 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 54866641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).