N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine

C9H9F2N5 — CID 112676213

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine
SMILESNc1[nH]ncc1CNc1ncc(F)cc1F
InChIInChI=1S/C9H9F2N5/c10-6-1-7(11)9(14-4-6)13-2-5-3-15-16-8(5)12/h1,3-4H,2H2,(H,13,14)(H3,12,15,16)
InChIKeyVNZRMRKSFQISAR-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.28
Rot. Bonds3

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine

N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine (PubChem CID 112676213) has the molecular formula C9H9F2N5 and a molecular weight of 225.20 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine
PubChem CID112676213
Molecular FormulaC9H9F2N5
Molecular Weight225.20 g/mol
Exact Mass225.08
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine
SMILESNc1[nH]ncc1CNc1ncc(F)cc1F
InChIInChI=1S/C9H9F2N5/c10-6-1-7(11)9(14-4-6)13-2-5-3-15-16-8(5)12/h1,3-4H,2H2,(H,13,14)(H3,12,15,16)
InChIKeyVNZRMRKSFQISAR-UHFFFAOYSA-N
XLogP1.28
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine
CID 112675660
N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine
CID 112675874
3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine
CID 114700865
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine
CID 112676039
N-[(5-amino-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 79529237
3,5-difluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617532
N-[(5-amino-1H-pyrazol-4-yl)methyl]pyridin-4-amine
CID 79529420
3,5-difluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 112675579
N-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104732720
1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)urea
CID 79531349
N-(3-chloropropyl)-3,5-difluoropyridin-2-amine
CID 112676550
4-[(5-fluoro-4-iodo-2-nitroanilino)methyl]-1H-pyrazol-5-amine
CID 79529878

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine (CID 112676213) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine is Nc1[nH]ncc1CNc1ncc(F)cc1F.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine?
The InChIKey is VNZRMRKSFQISAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N5/c10-6-1-7(11)9(14-4-6)13-2-5-3-15-16-8(5)12/h1,3-4H,2H2,(H,13,14)(H3,12,15,16).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine has a molecular weight of 225.20 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine is sourced from PubChem (CID 112676213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).