N-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide

C19H28N4O2 — CID 52537950

IUPACN-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(CNCc2c(C)nn(C)c2OC)cc1
InChIInChI=1S/C19H28N4O2/c1-6-13(2)21-18(24)16-9-7-15(8-10-16)11-20-12-17-14(3)22-23(4)19(17)25-5/h7-10,13,20H,6,11-12H2,1-5H3,(H,21,24)/t13-/m0/s1
InChIKeyLAWFVVRMXNBRFU-ZDUSSCGKSA-N
MW344.46 g/mol
LogP2.56
Rot. Bonds8

About N-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide

N-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide (PubChem CID 52537950) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
PubChem CID52537950
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(CNCc2c(C)nn(C)c2OC)cc1
InChIInChI=1S/C19H28N4O2/c1-6-13(2)21-18(24)16-9-7-15(8-10-16)11-20-12-17-14(3)22-23(4)19(17)25-5/h7-10,13,20H,6,11-12H2,1-5H3,(H,21,24)/t13-/m0/s1
InChIKeyLAWFVVRMXNBRFU-ZDUSSCGKSA-N
XLogP2.56
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide with MolForge

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Related Compounds

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CID 115600781
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N-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
CID 51131337
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-nitrophenyl)methanamine
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2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579
2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol
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CID 115600773
N-(furan-2-ylmethyl)-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
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2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615260
N-butan-2-yl-4-[[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111183764
N-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide (CID 52537950) is N-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide is CC[C@H](C)NC(=O)c1ccc(CNCc2c(C)nn(C)c2OC)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide?
The InChIKey is LAWFVVRMXNBRFU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-6-13(2)21-18(24)16-9-7-15(8-10-16)11-20-12-17-14(3)22-23(4)19(17)25-5/h7-10,13,20H,6,11-12H2,1-5H3,(H,21,24)/t13-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide?
N-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide has a molecular weight of 344.46 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 52537950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).