5-[cyclopropylmethyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde

C16H19N3O — CID 60984635

IUPAC5-[cyclopropylmethyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde
SMILESCc1nn(-c2ccccc2)c(N(C)CC2CC2)c1C=O
InChIInChI=1S/C16H19N3O/c1-12-15(11-20)16(18(2)10-13-8-9-13)19(17-12)14-6-4-3-5-7-14/h3-7,11,13H,8-10H2,1-2H3
InChIKeyQFMAXXUPIOBWOK-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.84
Rot. Bonds5

About 5-[cyclopropylmethyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde

5-[cyclopropylmethyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde (PubChem CID 60984635) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-[cyclopropylmethyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-[cyclopropylmethyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde
PubChem CID60984635
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-[cyclopropylmethyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde
SMILESCc1nn(-c2ccccc2)c(N(C)CC2CC2)c1C=O
InChIInChI=1S/C16H19N3O/c1-12-15(11-20)16(18(2)10-13-8-9-13)19(17-12)14-6-4-3-5-7-14/h3-7,11,13H,8-10H2,1-2H3
InChIKeyQFMAXXUPIOBWOK-UHFFFAOYSA-N
XLogP2.84
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1-phenylpyrazole-4-carbaldehyde
CID 60890620
5-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 60979842
3-methyl-1-phenyl-5-[propan-2-yl(propyl)amino]pyrazole-4-carbaldehyde
CID 43269732
4-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methyl-1-phenylpyrazol-5-amine
CID 63954999
5-[2-hydroxyethyl(propyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 61424993
(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(cyclopropylmethyl)-N-ethylprop-2-enamide
CID 86939441
4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 43281591
3-methyl-1-phenyl-5-phenylsulfanylpyrazole-4-carbaldehyde
CID 20983399
[5-[ethyl(methyl)amino]-3-methyl-1-phenylpyrazol-4-yl]methanol
CID 43263588
N-(2-aminoethyl)-N-(cyclopropylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 167820118
3-methyl-5-(2-methyloxolan-3-yl)sulfanyl-1-phenylpyrazole-4-carbaldehyde
CID 107761112
4-(bromomethyl)-N-(1-cyclopropylethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 107080390

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylmethyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde?
The IUPAC name of 5-[cyclopropylmethyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde (CID 60984635) is 5-[cyclopropylmethyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-[cyclopropylmethyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-[cyclopropylmethyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde is Cc1nn(-c2ccccc2)c(N(C)CC2CC2)c1C=O.
What is the InChIKey of 5-[cyclopropylmethyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde?
The InChIKey is QFMAXXUPIOBWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-15(11-20)16(18(2)10-13-8-9-13)19(17-12)14-6-4-3-5-7-14/h3-7,11,13H,8-10H2,1-2H3.
What are the key properties of 5-[cyclopropylmethyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde?
5-[cyclopropylmethyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde has a molecular weight of 269.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropylmethyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde is sourced from PubChem (CID 60984635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).