N-(2-methylpropyl)-3-(5-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)propanamide

C16H23N3OS — CID 50949768

IUPACN-(2-methylpropyl)-3-(5-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)propanamide
SMILESCc1ccnn1CCC(=O)N(Cc1ccsc1)CC(C)C
InChIInChI=1S/C16H23N3OS/c1-13(2)10-18(11-15-6-9-21-12-15)16(20)5-8-19-14(3)4-7-17-19/h4,6-7,9,12-13H,5,8,10-11H2,1-3H3
InChIKeyMXIDWPQHSUZQHZ-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.33
Rot. Bonds7

About N-(2-methylpropyl)-3-(5-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)propanamide

N-(2-methylpropyl)-3-(5-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 50949768) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(5-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(5-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)propanamide
PubChem CID50949768
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(2-methylpropyl)-3-(5-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)propanamide
SMILESCc1ccnn1CCC(=O)N(Cc1ccsc1)CC(C)C
InChIInChI=1S/C16H23N3OS/c1-13(2)10-18(11-15-6-9-21-12-15)16(20)5-8-19-14(3)4-7-17-19/h4,6-7,9,12-13H,5,8,10-11H2,1-3H3
InChIKeyMXIDWPQHSUZQHZ-UHFFFAOYSA-N
XLogP3.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-N'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-N'-(3-thienylmethyl)ethane-1,2-diamine
CID 46986262
N-methyl-2-(1-pyrazol-1-ylpropan-2-ylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 53529910
N-methyl-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 53603259
N-methyl-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 53609375
N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
CID 118739050
N,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
CID 118742858
Pyrrolidin-1-yl-[5-(thiophen-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanone
CID 118745755
N-propan-2-yl-5-(thiophen-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
CID 118745757
N-[(2S)-butan-2-yl]-1-ethyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
CID 52401822
N-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 56781302
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethylthiophene-3-carboxamide
CID 100739698
N,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 118742857

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(5-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of N-(2-methylpropyl)-3-(5-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)propanamide (CID 50949768) is N-(2-methylpropyl)-3-(5-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-(5-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for N-(2-methylpropyl)-3-(5-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)propanamide is Cc1ccnn1CCC(=O)N(Cc1ccsc1)CC(C)C.
What is the InChIKey of N-(2-methylpropyl)-3-(5-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is MXIDWPQHSUZQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-13(2)10-18(11-15-6-9-21-12-15)16(20)5-8-19-14(3)4-7-17-19/h4,6-7,9,12-13H,5,8,10-11H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-3-(5-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)propanamide?
N-(2-methylpropyl)-3-(5-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 305.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(5-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 50949768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).