4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethyloxan-4-amine

C19H29N5O — CID 138993211

IUPAC4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethyloxan-4-amine
SMILESCc1nn(-c2ccccn2)c(C)c1CNCC1(N(C)C)CCOCC1
InChIInChI=1S/C19H29N5O/c1-15-17(16(2)24(22-15)18-7-5-6-10-21-18)13-20-14-19(23(3)4)8-11-25-12-9-19/h5-7,10,20H,8-9,11-14H2,1-4H3
InChIKeyKOVKHEMDTLVLMF-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.08
Rot. Bonds6

About 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethyloxan-4-amine

4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethyloxan-4-amine (PubChem CID 138993211) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethyloxan-4-amine.

Molecular Properties

Compound Name4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethyloxan-4-amine
PubChem CID138993211
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethyloxan-4-amine
SMILESCc1nn(-c2ccccn2)c(C)c1CNCC1(N(C)C)CCOCC1
InChIInChI=1S/C19H29N5O/c1-15-17(16(2)24(22-15)18-7-5-6-10-21-18)13-20-14-19(23(3)4)8-11-25-12-9-19/h5-7,10,20H,8-9,11-14H2,1-4H3
InChIKeyKOVKHEMDTLVLMF-UHFFFAOYSA-N
XLogP2.08
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethyloxan-4-amine?
The IUPAC name of 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethyloxan-4-amine (CID 138993211) is 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethyloxan-4-amine.
What is the SMILES notation for 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethyloxan-4-amine?
The canonical SMILES for 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethyloxan-4-amine is Cc1nn(-c2ccccn2)c(C)c1CNCC1(N(C)C)CCOCC1.
What is the InChIKey of 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethyloxan-4-amine?
The InChIKey is KOVKHEMDTLVLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-15-17(16(2)24(22-15)18-7-5-6-10-21-18)13-20-14-19(23(3)4)8-11-25-12-9-19/h5-7,10,20H,8-9,11-14H2,1-4H3.
What are the key properties of 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethyloxan-4-amine?
4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethyloxan-4-amine has a molecular weight of 343.48 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethyloxan-4-amine is sourced from PubChem (CID 138993211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).