5-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridin-2-amine

C21H19N5O — CID 138682648

IUPAC5-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cnn(Cc3ccc(OCc4ccccc4)nc3)c2)cn1
InChIInChI=1S/C21H19N5O/c22-20-8-7-18(11-23-20)19-12-25-26(14-19)13-17-6-9-21(24-10-17)27-15-16-4-2-1-3-5-16/h1-12,14H,13,15H2,(H2,22,23)
InChIKeyAWRFWGPUUJCVSJ-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.55
Rot. Bonds6

About 5-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridin-2-amine

5-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridin-2-amine (PubChem CID 138682648) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 5-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridin-2-amine
PubChem CID138682648
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name5-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cnn(Cc3ccc(OCc4ccccc4)nc3)c2)cn1
InChIInChI=1S/C21H19N5O/c22-20-8-7-18(11-23-20)19-12-25-26(14-19)13-17-6-9-21(24-10-17)27-15-16-4-2-1-3-5-16/h1-12,14H,13,15H2,(H2,22,23)
InChIKeyAWRFWGPUUJCVSJ-UHFFFAOYSA-N
XLogP3.55
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-benzylpyrazol-4-yl)aniline
CID 63338467
1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
CID 47012747
1-(6-phenylmethoxy-3-pyridinyl)propan-2-amine
CID 71131754
5-[1-(cyclobutylmethyl)pyrazol-4-yl]pyridin-2-amine
CID 166624876
4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine
CID 131010627
6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 122184536
5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine
CID 62885446
methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate
CID 58748868
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338628
5-(1-iodopyrazol-4-yl)pyridin-2-amine
CID 135249480
2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338073
4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-phenylmethoxyaniline
CID 171921778

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridin-2-amine (CID 138682648) is 5-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridin-2-amine is Nc1ccc(-c2cnn(Cc3ccc(OCc4ccccc4)nc3)c2)cn1.
What is the InChIKey of 5-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridin-2-amine?
The InChIKey is AWRFWGPUUJCVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c22-20-8-7-18(11-23-20)19-12-25-26(14-19)13-17-6-9-21(24-10-17)27-15-16-4-2-1-3-5-16/h1-12,14H,13,15H2,(H2,22,23).
What are the key properties of 5-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridin-2-amine?
5-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridin-2-amine has a molecular weight of 357.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 138682648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).