2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide

C12H15N5O — CID 120704186

IUPAC2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide
SMILESCNCC(=O)Nc1cnn(Cc2ccncc2)c1
InChIInChI=1S/C12H15N5O/c1-13-7-12(18)16-11-6-15-17(9-11)8-10-2-4-14-5-3-10/h2-6,9,13H,7-8H2,1H3,(H,16,18)
InChIKeyVQWKDVWEVWOWNK-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.48
Rot. Bonds5

About 2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide

2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 120704186) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide
PubChem CID120704186
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide
SMILESCNCC(=O)Nc1cnn(Cc2ccncc2)c1
InChIInChI=1S/C12H15N5O/c1-13-7-12(18)16-11-6-15-17(9-11)8-10-2-4-14-5-3-10/h2-6,9,13H,7-8H2,1H3,(H,16,18)
InChIKeyVQWKDVWEVWOWNK-UHFFFAOYSA-N
XLogP0.48
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride
CID 119871204
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide
CID 119871229
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride
CID 119871220
2-(methylamino)-N-(1-pyridin-4-ylpyrazol-4-yl)acetamide
CID 110470511
(2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride
CID 119871202
(2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
CID 119871213
2-(methylamino)-N-[1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 119809382
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
CID 119871215
1-(3-fluorophenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]urea
CID 51103649
trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]cyclopropane-1-carboxamide
CID 95153446
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19411730

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide (CID 120704186) is 2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide is CNCC(=O)Nc1cnn(Cc2ccncc2)c1.
What is the InChIKey of 2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide?
The InChIKey is VQWKDVWEVWOWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-13-7-12(18)16-11-6-15-17(9-11)8-10-2-4-14-5-3-10/h2-6,9,13H,7-8H2,1H3,(H,16,18).
What are the key properties of 2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide?
2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide has a molecular weight of 245.29 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 120704186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).