N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide

C10H18N4O2 — CID 110281226

IUPACN-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
SMILESCN(C)CC(O)CNC(=O)c1ccnn1C
InChIInChI=1S/C10H18N4O2/c1-13(2)7-8(15)6-11-10(16)9-4-5-12-14(9)3/h4-5,8,15H,6-7H2,1-3H3,(H,11,16)
InChIKeyCXPICJZDTHXODW-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.93
Rot. Bonds5

About N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide

N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide (PubChem CID 110281226) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
PubChem CID110281226
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
SMILESCN(C)CC(O)CNC(=O)c1ccnn1C
InChIInChI=1S/C10H18N4O2/c1-13(2)7-8(15)6-11-10(16)9-4-5-12-14(9)3/h4-5,8,15H,6-7H2,1-3H3,(H,11,16)
InChIKeyCXPICJZDTHXODW-UHFFFAOYSA-N
XLogP-0.93
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 107833827
N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide
CID 103658436
2-methyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide
CID 81478587
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
CID 111697762
2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 106107552
N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide
CID 17167946
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 110467140
N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide
CID 110281404
N-[3-(dimethylamino)-2-hydroxypropyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 110281351
N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide
CID 131949973
N-[3-(dimethylamino)-2-hydroxypropyl]-4-ethynylbenzamide
CID 134264407

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide (CID 110281226) is N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide is CN(C)CC(O)CNC(=O)c1ccnn1C.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is CXPICJZDTHXODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-13(2)7-8(15)6-11-10(16)9-4-5-12-14(9)3/h4-5,8,15H,6-7H2,1-3H3,(H,11,16).
What are the key properties of N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide?
N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of -0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110281226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).