N,1,3-trimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]pyrazol-5-amine

C16H30N4O — CID 63713832

IUPACN,1,3-trimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CC2CCOCC2)c1CNC(C)C
InChIInChI=1S/C16H30N4O/c1-12(2)17-10-15-13(3)18-20(5)16(15)19(4)11-14-6-8-21-9-7-14/h12,14,17H,6-11H2,1-5H3
InChIKeyWOOMKONXLHYCBN-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.09
Rot. Bonds6

About N,1,3-trimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]pyrazol-5-amine

N,1,3-trimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]pyrazol-5-amine (PubChem CID 63713832) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N,1,3-trimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]pyrazol-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
PubChem CID63713832
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN,1,3-trimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CC2CCOCC2)c1CNC(C)C
InChIInChI=1S/C16H30N4O/c1-12(2)17-10-15-13(3)18-20(5)16(15)19(4)11-14-6-8-21-9-7-14/h12,14,17H,6-11H2,1-5H3
InChIKeyWOOMKONXLHYCBN-UHFFFAOYSA-N
XLogP2.09
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]pyrazol-5-amine?
The IUPAC name of N,1,3-trimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]pyrazol-5-amine (CID 63713832) is N,1,3-trimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]pyrazol-5-amine.
What is the SMILES notation for N,1,3-trimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]pyrazol-5-amine?
The canonical SMILES for N,1,3-trimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]pyrazol-5-amine is Cc1nn(C)c(N(C)CC2CCOCC2)c1CNC(C)C.
What is the InChIKey of N,1,3-trimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]pyrazol-5-amine?
The InChIKey is WOOMKONXLHYCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-12(2)17-10-15-13(3)18-20(5)16(15)19(4)11-14-6-8-21-9-7-14/h12,14,17H,6-11H2,1-5H3.
What are the key properties of N,1,3-trimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]pyrazol-5-amine?
N,1,3-trimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]pyrazol-5-amine has a molecular weight of 294.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]pyrazol-5-amine is sourced from PubChem (CID 63713832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).