N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide

C19H24N4O2 — CID 167861290

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
SMILESC=CC(=O)Nc1ccc(CCC(=O)NC(C)c2cn(C)nc2C)cc1
InChIInChI=1S/C19H24N4O2/c1-5-18(24)21-16-9-6-15(7-10-16)8-11-19(25)20-13(2)17-12-23(4)22-14(17)3/h5-7,9-10,12-13H,1,8,11H2,2-4H3,(H,20,25)(H,21,24)
InChIKeyYIDAJRPQAVRVJH-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.66
Rot. Bonds7

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide (PubChem CID 167861290) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
PubChem CID167861290
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
SMILESC=CC(=O)Nc1ccc(CCC(=O)NC(C)c2cn(C)nc2C)cc1
InChIInChI=1S/C19H24N4O2/c1-5-18(24)21-16-9-6-15(7-10-16)8-11-19(25)20-13(2)17-12-23(4)22-14(17)3/h5-7,9-10,12-13H,1,8,11H2,2-4H3,(H,20,25)(H,21,24)
InChIKeyYIDAJRPQAVRVJH-UHFFFAOYSA-N
XLogP2.66
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,1-dimethyl-4-[3-[4-(prop-2-enoylamino)phenyl]propanoylamino]pyrazole-3-carboxamide
CID 166421920
2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide
CID 119741052
N-[1-(1-hydroxycyclobutyl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166420370
N-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421340
N-[4-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]phenyl]prop-2-enamide
CID 167849410
ethyl 4-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]benzoate
CID 2955199
N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 95103367
[3-[3-[4-(prop-2-enoylamino)phenyl]propanoylamino]phenyl]carbamic acid
CID 138682756
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166422102
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166422115
1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 65197319
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 65191944

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide (CID 167861290) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide is C=CC(=O)Nc1ccc(CCC(=O)NC(C)c2cn(C)nc2C)cc1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide?
The InChIKey is YIDAJRPQAVRVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-5-18(24)21-16-9-6-15(7-10-16)8-11-19(25)20-13(2)17-12-23(4)22-14(17)3/h5-7,9-10,12-13H,1,8,11H2,2-4H3,(H,20,25)(H,21,24).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide has a molecular weight of 340.43 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide is sourced from PubChem (CID 167861290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).