(E)-N-(propan-2-ylideneamino)-1-(1-propan-2-ylpyrazol-4-yl)propan-1-imine

C12H20N4 — CID 144581421

IUPAC(E)-N-(propan-2-ylideneamino)-1-(1-propan-2-ylpyrazol-4-yl)propan-1-imine
SMILESCC/C(=N\N=C(C)C)c1cnn(C(C)C)c1
InChIInChI=1S/C12H20N4/c1-6-12(15-14-9(2)3)11-7-13-16(8-11)10(4)5/h7-8,10H,6H2,1-5H3/b15-12+
InChIKeyJNUWNVYPMSPFSD-NTCAYCPXSA-N
MW220.32 g/mol
LogP3.06
Rot. Bonds4

About (E)-N-(propan-2-ylideneamino)-1-(1-propan-2-ylpyrazol-4-yl)propan-1-imine

(E)-N-(propan-2-ylideneamino)-1-(1-propan-2-ylpyrazol-4-yl)propan-1-imine (PubChem CID 144581421) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (E)-N-(propan-2-ylideneamino)-1-(1-propan-2-ylpyrazol-4-yl)propan-1-imine.

Molecular Properties

Compound Name(E)-N-(propan-2-ylideneamino)-1-(1-propan-2-ylpyrazol-4-yl)propan-1-imine
PubChem CID144581421
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(E)-N-(propan-2-ylideneamino)-1-(1-propan-2-ylpyrazol-4-yl)propan-1-imine
SMILESCC/C(=N\N=C(C)C)c1cnn(C(C)C)c1
InChIInChI=1S/C12H20N4/c1-6-12(15-14-9(2)3)11-7-13-16(8-11)10(4)5/h7-8,10H,6H2,1-5H3/b15-12+
InChIKeyJNUWNVYPMSPFSD-NTCAYCPXSA-N
XLogP3.06
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248267
2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
alpha-Ethyl-1-methyl-1H-pyrazole-4-methanamine
CID 23005813
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
alpha,1-Dimethyl-1H-pyrazole-4-ethanamine
CID 43199853
4-(3-bromopropyl)-1-methyl-1H-pyrazole
CID 45791463
3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 47003365
(2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97470990
(1R,2S)-2-(1-Methyl-1H-pyrazol-4-yl)cyclopropan-1-amine
CID 91647634
4-(1-methyl-1H-pyrazol-4-yl)butan-1-amine
CID 50988989
2,2-dimethyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine dihydrochloride
CID 54593542
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805

Frequently Asked Questions

What is the IUPAC name of (E)-N-(propan-2-ylideneamino)-1-(1-propan-2-ylpyrazol-4-yl)propan-1-imine?
The IUPAC name of (E)-N-(propan-2-ylideneamino)-1-(1-propan-2-ylpyrazol-4-yl)propan-1-imine (CID 144581421) is (E)-N-(propan-2-ylideneamino)-1-(1-propan-2-ylpyrazol-4-yl)propan-1-imine.
What is the SMILES notation for (E)-N-(propan-2-ylideneamino)-1-(1-propan-2-ylpyrazol-4-yl)propan-1-imine?
The canonical SMILES for (E)-N-(propan-2-ylideneamino)-1-(1-propan-2-ylpyrazol-4-yl)propan-1-imine is CC/C(=N\N=C(C)C)c1cnn(C(C)C)c1.
What is the InChIKey of (E)-N-(propan-2-ylideneamino)-1-(1-propan-2-ylpyrazol-4-yl)propan-1-imine?
The InChIKey is JNUWNVYPMSPFSD-NTCAYCPXSA-N. The full InChI is InChI=1S/C12H20N4/c1-6-12(15-14-9(2)3)11-7-13-16(8-11)10(4)5/h7-8,10H,6H2,1-5H3/b15-12+.
What are the key properties of (E)-N-(propan-2-ylideneamino)-1-(1-propan-2-ylpyrazol-4-yl)propan-1-imine?
(E)-N-(propan-2-ylideneamino)-1-(1-propan-2-ylpyrazol-4-yl)propan-1-imine has a molecular weight of 220.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(propan-2-ylideneamino)-1-(1-propan-2-ylpyrazol-4-yl)propan-1-imine is sourced from PubChem (CID 144581421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).