3-[1-[[4-(cyclopropylmethoxymethyl)phenyl]methyl]pyrazol-4-yl]pyridin-2-amine

C20H22N4O — CID 59255115

IUPAC3-[1-[[4-(cyclopropylmethoxymethyl)phenyl]methyl]pyrazol-4-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cnn(Cc2ccc(COCC3CC3)cc2)c1
InChIInChI=1S/C20H22N4O/c21-20-19(2-1-9-22-20)18-10-23-24(12-18)11-15-3-5-16(6-4-15)13-25-14-17-7-8-17/h1-6,9-10,12,17H,7-8,11,13-14H2,(H2,21,22)
InChIKeyVAYOKHLPTHWKBT-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.50
Rot. Bonds7

About 3-[1-[[4-(cyclopropylmethoxymethyl)phenyl]methyl]pyrazol-4-yl]pyridin-2-amine

3-[1-[[4-(cyclopropylmethoxymethyl)phenyl]methyl]pyrazol-4-yl]pyridin-2-amine (PubChem CID 59255115) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[1-[[4-(cyclopropylmethoxymethyl)phenyl]methyl]pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-[[4-(cyclopropylmethoxymethyl)phenyl]methyl]pyrazol-4-yl]pyridin-2-amine
PubChem CID59255115
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-[1-[[4-(cyclopropylmethoxymethyl)phenyl]methyl]pyrazol-4-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cnn(Cc2ccc(COCC3CC3)cc2)c1
InChIInChI=1S/C20H22N4O/c21-20-19(2-1-9-22-20)18-10-23-24(12-18)11-15-3-5-16(6-4-15)13-25-14-17-7-8-17/h1-6,9-10,12,17H,7-8,11,13-14H2,(H2,21,22)
InChIKeyVAYOKHLPTHWKBT-UHFFFAOYSA-N
XLogP3.50
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridine
CID 137373649
1-(cyclopropylmethoxymethyl)-4-phenylbenzene
CID 59259711
2-(1-benzylpyrazol-4-yl)aniline
CID 63338467
2-[1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]aniline
CID 63338473
2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine
CID 137388705
4-[[4-(2-aminophenyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile
CID 63883306
5-[(4-bromopyrazol-1-yl)methyl]-2-phenoxypyridine;3-[1-[(6-phenoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridin-2-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 158569004
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid
CID 154466763
7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline
CID 137374115
3-(1-benzylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridine
CID 90027609
2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine
CID 91064991

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-(cyclopropylmethoxymethyl)phenyl]methyl]pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[1-[[4-(cyclopropylmethoxymethyl)phenyl]methyl]pyrazol-4-yl]pyridin-2-amine (CID 59255115) is 3-[1-[[4-(cyclopropylmethoxymethyl)phenyl]methyl]pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[1-[[4-(cyclopropylmethoxymethyl)phenyl]methyl]pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[1-[[4-(cyclopropylmethoxymethyl)phenyl]methyl]pyrazol-4-yl]pyridin-2-amine is Nc1ncccc1-c1cnn(Cc2ccc(COCC3CC3)cc2)c1.
What is the InChIKey of 3-[1-[[4-(cyclopropylmethoxymethyl)phenyl]methyl]pyrazol-4-yl]pyridin-2-amine?
The InChIKey is VAYOKHLPTHWKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-20-19(2-1-9-22-20)18-10-23-24(12-18)11-15-3-5-16(6-4-15)13-25-14-17-7-8-17/h1-6,9-10,12,17H,7-8,11,13-14H2,(H2,21,22).
What are the key properties of 3-[1-[[4-(cyclopropylmethoxymethyl)phenyl]methyl]pyrazol-4-yl]pyridin-2-amine?
3-[1-[[4-(cyclopropylmethoxymethyl)phenyl]methyl]pyrazol-4-yl]pyridin-2-amine has a molecular weight of 334.42 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-(cyclopropylmethoxymethyl)phenyl]methyl]pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 59255115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).