1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine

C12H22N4 — CID 79540648

IUPAC1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine
SMILESCCn1cc(NC(C)CC2CCCN2)cn1
InChIInChI=1S/C12H22N4/c1-3-16-9-12(8-14-16)15-10(2)7-11-5-4-6-13-11/h8-11,13,15H,3-7H2,1-2H3
InChIKeyTWWVUGFXHOURPF-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.85
Rot. Bonds5

About 1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine

1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine (PubChem CID 79540648) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine
PubChem CID79540648
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine
SMILESCCn1cc(NC(C)CC2CCCN2)cn1
InChIInChI=1S/C12H22N4/c1-3-16-9-12(8-14-16)15-10(2)7-11-5-4-6-13-11/h8-11,13,15H,3-7H2,1-2H3
InChIKeyTWWVUGFXHOURPF-UHFFFAOYSA-N
XLogP1.85
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511592
N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine
CID 79541111
1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide
CID 99776064
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921376
(2S)-N-(1-ethylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119292192
N-(1-cyclopropylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921375
N-[1-(1-ethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602881
4-ethyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549376
2-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 62232960
N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine
CID 115922661
1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone
CID 79539659

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine (CID 79540648) is 1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine is CCn1cc(NC(C)CC2CCCN2)cn1.
What is the InChIKey of 1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine?
The InChIKey is TWWVUGFXHOURPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-16-9-12(8-14-16)15-10(2)7-11-5-4-6-13-11/h8-11,13,15H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine?
1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine has a molecular weight of 222.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine is sourced from PubChem (CID 79540648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).