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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N,1,3-trimethyl-5-N-(oxan-4-ylmethyl)pyrazole-4,5-diamine
CID 55228543
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine
CID 63236600
N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63706345
N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine
CID 79488921
N-methyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 63711740
3-chloro-N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 63711397
5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 61444659
N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine
CID 43280266
N-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281054
2-chloro-N-methyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 81145002
N,3-dimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 63713320

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).