N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine

C18H22N6O — CID 71933818

IUPACN-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCn1cc(CNc2cnn(CC3CCCO3)c2)c(-c2ccncc2)n1
InChIInChI=1S/C18H22N6O/c1-23-11-15(18(22-23)14-4-6-19-7-5-14)9-20-16-10-21-24(12-16)13-17-3-2-8-25-17/h4-7,10-12,17,20H,2-3,8-9,13H2,1H3
InChIKeySCGWFHLGWFZGJR-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.47
Rot. Bonds6

About N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine

N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (PubChem CID 71933818) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
PubChem CID71933818
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCn1cc(CNc2cnn(CC3CCCO3)c2)c(-c2ccncc2)n1
InChIInChI=1S/C18H22N6O/c1-23-11-15(18(22-23)14-4-6-19-7-5-14)9-20-16-10-21-24(12-16)13-17-3-2-8-25-17/h4-7,10-12,17,20H,2-3,8-9,13H2,1H3
InChIKeySCGWFHLGWFZGJR-UHFFFAOYSA-N
XLogP2.47
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (CID 71933818) is N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is Cn1cc(CNc2cnn(CC3CCCO3)c2)c(-c2ccncc2)n1.
What is the InChIKey of N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The InChIKey is SCGWFHLGWFZGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-23-11-15(18(22-23)14-4-6-19-7-5-14)9-20-16-10-21-24(12-16)13-17-3-2-8-25-17/h4-7,10-12,17,20H,2-3,8-9,13H2,1H3.
What are the key properties of N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine has a molecular weight of 338.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 71933818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).