3-amino-N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]butanamide;hydrochloride

C12H14Cl3N5O — CID 120873162

IUPAC3-amino-N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1.Cl
InChIInChI=1S/C12H13Cl2N5O.ClH/c1-7(15)2-11(20)18-9-5-17-19(6-9)12-10(14)3-8(13)4-16-12;/h3-7H,2,15H2,1H3,(H,18,20);1H
InChIKeyNLDOHFSGQNXPMI-UHFFFAOYSA-N
MW350.64 g/mol
LogP2.67
Rot. Bonds4

About 3-amino-N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]butanamide;hydrochloride

3-amino-N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]butanamide;hydrochloride (PubChem CID 120873162) has the molecular formula C12H14Cl3N5O and a molecular weight of 350.64 g/mol. Its IUPAC name is 3-amino-N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]butanamide;hydrochloride
PubChem CID120873162
Molecular FormulaC12H14Cl3N5O
Molecular Weight350.64 g/mol
Exact Mass349.03
IUPAC Name3-amino-N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1.Cl
InChIInChI=1S/C12H13Cl2N5O.ClH/c1-7(15)2-11(20)18-9-5-17-19(6-9)12-10(14)3-8(13)4-16-12;/h3-7H,2,15H2,1H3,(H,18,20);1H
InChIKeyNLDOHFSGQNXPMI-UHFFFAOYSA-N
XLogP2.67
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.64
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]butanamide;hydrochloride (CID 120873162) is 3-amino-N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]butanamide;hydrochloride is CC(N)CC(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1.Cl.
What is the InChIKey of 3-amino-N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]butanamide;hydrochloride?
The InChIKey is NLDOHFSGQNXPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5O.ClH/c1-7(15)2-11(20)18-9-5-17-19(6-9)12-10(14)3-8(13)4-16-12;/h3-7H,2,15H2,1H3,(H,18,20);1H.
What are the key properties of 3-amino-N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]butanamide;hydrochloride?
3-amino-N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]butanamide;hydrochloride has a molecular weight of 350.64 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]butanamide;hydrochloride is sourced from PubChem (CID 120873162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).