3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide

C18H21N5O — CID 95906003

IUPAC3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
SMILESCc1cnn(CCC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)c1
InChIInChI=1S/C18H21N5O/c1-14-12-20-22(13-14)10-7-18(24)21-15(2)16-5-3-6-17(11-16)23-9-4-8-19-23/h3-6,8-9,11-13,15H,7,10H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyXGERNMHHGBPWAX-OAHLLOKOSA-N
MW323.40 g/mol
LogP2.64
Rot. Bonds6

About 3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide

3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide (PubChem CID 95906003) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
PubChem CID95906003
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
SMILESCc1cnn(CCC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)c1
InChIInChI=1S/C18H21N5O/c1-14-12-20-22(13-14)10-7-18(24)21-15(2)16-5-3-6-17(11-16)23-9-4-8-19-23/h3-6,8-9,11-13,15H,7,10H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyXGERNMHHGBPWAX-OAHLLOKOSA-N
XLogP2.64
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide
CID 95906018
3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid
CID 119139749
2-indazol-1-yl-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 95906025
N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide
CID 95906052
2-indazol-1-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 95906024
(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 124877320
2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide
CID 166217035
(2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95933671
3-amino-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501001
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 120933170
1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea
CID 71868268

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide (CID 95906003) is 3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide is Cc1cnn(CCC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide?
The InChIKey is XGERNMHHGBPWAX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N5O/c1-14-12-20-22(13-14)10-7-18(24)21-15(2)16-5-3-6-17(11-16)23-9-4-8-19-23/h3-6,8-9,11-13,15H,7,10H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of 3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide?
3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 95906003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).