2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine

C22H21N5O — CID 133442724

IUPAC2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine
SMILESCOc1ccc(-n2ccc(CNc3ccnc(Cc4ccccc4)n3)n2)cc1
InChIInChI=1S/C22H21N5O/c1-28-20-9-7-19(8-10-20)27-14-12-18(26-27)16-24-21-11-13-23-22(25-21)15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,23,24,25)
InChIKeyLSKKVLHWOXCAKF-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.87
Rot. Bonds7

About 2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine

2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine (PubChem CID 133442724) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine
PubChem CID133442724
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine
SMILESCOc1ccc(-n2ccc(CNc3ccnc(Cc4ccccc4)n3)n2)cc1
InChIInChI=1S/C22H21N5O/c1-28-20-9-7-19(8-10-20)27-14-12-18(26-27)16-24-21-11-13-23-22(25-21)15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,23,24,25)
InChIKeyLSKKVLHWOXCAKF-UHFFFAOYSA-N
XLogP3.87
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine
CID 133309651
2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine
CID 133443170
2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 62190614
3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile
CID 133284092
6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine
CID 83093214
3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline
CID 62886369
4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one
CID 133309689
5-cyclopropyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 138998692
5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine
CID 122138740
5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine
CID 139010286
1-(4-methoxyphenyl)-N-phenylpyrazol-3-amine
CID 21272312
4-N-[(4-methoxyphenyl)methyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892381

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine (CID 133442724) is 2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine is COc1ccc(-n2ccc(CNc3ccnc(Cc4ccccc4)n3)n2)cc1.
What is the InChIKey of 2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is LSKKVLHWOXCAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-28-20-9-7-19(8-10-20)27-14-12-18(26-27)16-24-21-11-13-23-22(25-21)15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,23,24,25).
What are the key properties of 2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine?
2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 371.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133442724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).