2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide

C12H22N4O — CID 113232733

IUPAC2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide
SMILESCc1cnn(CCNC(C)C(=O)NC(C)C)c1
InChIInChI=1S/C12H22N4O/c1-9(2)15-12(17)11(4)13-5-6-16-8-10(3)7-14-16/h7-9,11,13H,5-6H2,1-4H3,(H,15,17)
InChIKeyCZSNRBRFUBSPNM-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.69
Rot. Bonds6

About 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide

2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide (PubChem CID 113232733) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide
PubChem CID113232733
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide
SMILESCc1cnn(CCNC(C)C(=O)NC(C)C)c1
InChIInChI=1S/C12H22N4O/c1-9(2)15-12(17)11(4)13-5-6-16-8-10(3)7-14-16/h7-9,11,13H,5-6H2,1-4H3,(H,15,17)
InChIKeyCZSNRBRFUBSPNM-UHFFFAOYSA-N
XLogP0.69
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
CID 113232712
N,N-diethyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
CID 113232717
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 103881624
(2R)-N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
CID 95607706
1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 115867879
1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea
CID 19573005
4-[2-(4-methylpyrazol-1-yl)ethylamino]pentan-1-ol
CID 115972661
(2S)-1-(2,3-dihydroindol-1-yl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]propan-1-one
CID 95346896
2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19327956
4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol
CID 104861935
1-[2-(propan-2-ylamino)ethyl]pyrazole-4-carboxylic acid
CID 162751377
(1S)-1-(4-bromophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 97073564

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide (CID 113232733) is 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide is Cc1cnn(CCNC(C)C(=O)NC(C)C)c1.
What is the InChIKey of 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide?
The InChIKey is CZSNRBRFUBSPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)15-12(17)11(4)13-5-6-16-8-10(3)7-14-16/h7-9,11,13H,5-6H2,1-4H3,(H,15,17).
What are the key properties of 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide?
2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113232733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).