(2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride

C12H17Cl2N5O — CID 119871202

IUPAC(2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)Nc1cnn(Cc2ccncc2)c1.Cl.Cl
InChIInChI=1S/C12H15N5O.2ClH/c1-9(13)12(18)16-11-6-15-17(8-11)7-10-2-4-14-5-3-10;;/h2-6,8-9H,7,13H2,1H3,(H,16,18);2*1H/t9-;;/m1../s1
InChIKeyCTRUTKZXHZPMJX-KLQYNRQASA-N
MW318.21 g/mol
LogP1.46
Rot. Bonds4

About (2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride

(2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride (PubChem CID 119871202) has the molecular formula C12H17Cl2N5O and a molecular weight of 318.21 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride
PubChem CID119871202
Molecular FormulaC12H17Cl2N5O
Molecular Weight318.21 g/mol
Exact Mass317.08
IUPAC Name(2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)Nc1cnn(Cc2ccncc2)c1.Cl.Cl
InChIInChI=1S/C12H15N5O.2ClH/c1-9(13)12(18)16-11-6-15-17(8-11)7-10-2-4-14-5-3-10;;/h2-6,8-9H,7,13H2,1H3,(H,16,18);2*1H/t9-;;/m1../s1
InChIKeyCTRUTKZXHZPMJX-KLQYNRQASA-N
XLogP1.46
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
CID 119871213
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride
CID 119871220
2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride
CID 120799505
2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide
CID 120704186
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide
CID 119871229
2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide
CID 81083334
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
(2R)-2-amino-N-pyridin-4-ylpropanamide
CID 78972247
N-(1-benzylpyrazol-4-yl)-2-bromo-3-methylbutanamide
CID 60934374
2-(cyclopropylmethylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride
CID 119871204
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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride (CID 119871202) is (2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride is C[C@@H](N)C(=O)Nc1cnn(Cc2ccncc2)c1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride?
The InChIKey is CTRUTKZXHZPMJX-KLQYNRQASA-N. The full InChI is InChI=1S/C12H15N5O.2ClH/c1-9(13)12(18)16-11-6-15-17(8-11)7-10-2-4-14-5-3-10;;/h2-6,8-9H,7,13H2,1H3,(H,16,18);2*1H/t9-;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride?
(2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride has a molecular weight of 318.21 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride is sourced from PubChem (CID 119871202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).