N-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine

C16H23N3OS — CID 95323085

IUPACN-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine
SMILESCC(C)N(CC[S@@](=O)c1ccccc1)Cc1cnn(C)c1
InChIInChI=1S/C16H23N3OS/c1-14(2)19(13-15-11-17-18(3)12-15)9-10-21(20)16-7-5-4-6-8-16/h4-8,11-12,14H,9-10,13H2,1-3H3/t21-/m1/s1
InChIKeyMQZQIFUUFOZTGG-OAQYLSRUSA-N
MW305.45 g/mol
LogP2.44
Rot. Bonds7

About N-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine

N-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine (PubChem CID 95323085) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine
PubChem CID95323085
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine
SMILESCC(C)N(CC[S@@](=O)c1ccccc1)Cc1cnn(C)c1
InChIInChI=1S/C16H23N3OS/c1-14(2)19(13-15-11-17-18(3)12-15)9-10-21(20)16-7-5-4-6-8-16/h4-8,11-12,14H,9-10,13H2,1-3H3/t21-/m1/s1
InChIKeyMQZQIFUUFOZTGG-OAQYLSRUSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylindol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
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N'-hydroxy-3-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]propanimidamide
CID 62126180
2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol
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2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56816908
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771
2-[(S)-(2,5-dichlorophenyl)sulfinyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 95629757
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2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 60681815
(3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol
CID 28732563
2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol
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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine (CID 95323085) is N-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine is CC(C)N(CC[S@@](=O)c1ccccc1)Cc1cnn(C)c1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine?
The InChIKey is MQZQIFUUFOZTGG-OAQYLSRUSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-14(2)19(13-15-11-17-18(3)12-15)9-10-21(20)16-7-5-4-6-8-16/h4-8,11-12,14H,9-10,13H2,1-3H3/t21-/m1/s1.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine?
N-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine has a molecular weight of 305.45 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine is sourced from PubChem (CID 95323085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).