3-[(4-methoxy-2,5-dimethylphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide

C19H22N6O2 — CID 71765556

IUPAC3-[(4-methoxy-2,5-dimethylphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
SMILESCOc1cc(C)c(CNc2n[nH]c(Nc3cccnc3)c2C(N)=O)cc1C
InChIInChI=1S/C19H22N6O2/c1-11-8-15(27-3)12(2)7-13(11)9-22-18-16(17(20)26)19(25-24-18)23-14-5-4-6-21-10-14/h4-8,10H,9H2,1-3H3,(H2,20,26)(H3,22,23,24,25)
InChIKeyBVDUPQYCASTDQQ-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.88
Rot. Bonds7

About 3-[(4-methoxy-2,5-dimethylphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide

3-[(4-methoxy-2,5-dimethylphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide (PubChem CID 71765556) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 3-[(4-methoxy-2,5-dimethylphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-methoxy-2,5-dimethylphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
PubChem CID71765556
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name3-[(4-methoxy-2,5-dimethylphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
SMILESCOc1cc(C)c(CNc2n[nH]c(Nc3cccnc3)c2C(N)=O)cc1C
InChIInChI=1S/C19H22N6O2/c1-11-8-15(27-3)12(2)7-13(11)9-22-18-16(17(20)26)19(25-24-18)23-14-5-4-6-21-10-14/h4-8,10H,9H2,1-3H3,(H2,20,26)(H3,22,23,24,25)
InChIKeyBVDUPQYCASTDQQ-UHFFFAOYSA-N
XLogP2.88
TPSA117.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-2,5-dimethylphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(4-methoxy-2,5-dimethylphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide (CID 71765556) is 3-[(4-methoxy-2,5-dimethylphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-methoxy-2,5-dimethylphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-methoxy-2,5-dimethylphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide is COc1cc(C)c(CNc2n[nH]c(Nc3cccnc3)c2C(N)=O)cc1C.
What is the InChIKey of 3-[(4-methoxy-2,5-dimethylphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is BVDUPQYCASTDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-11-8-15(27-3)12(2)7-13(11)9-22-18-16(17(20)26)19(25-24-18)23-14-5-4-6-21-10-14/h4-8,10H,9H2,1-3H3,(H2,20,26)(H3,22,23,24,25).
What are the key properties of 3-[(4-methoxy-2,5-dimethylphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
3-[(4-methoxy-2,5-dimethylphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.88, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-2,5-dimethylphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71765556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).