(E,1Z)-3-(1,3-dimethylpyrazol-4-yl)-1-(5-methyl-2-propan-2-yl-4H-pyrazol-3-ylidene)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine

C20H29N7 — CID 155773343

IUPAC(E,1Z)-3-(1,3-dimethylpyrazol-4-yl)-1-(5-methyl-2-propan-2-yl-4H-pyrazol-3-ylidene)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine
SMILESCC1=NN(C(C)C)/C(=C(/C=C/c2cn(C)nc2C)NCc2cnn(C)c2)C1
InChIInChI=1S/C20H29N7/c1-14(2)27-20(9-15(3)23-27)19(21-10-17-11-22-25(5)12-17)8-7-18-13-26(6)24-16(18)4/h7-8,11-14,21H,9-10H2,1-6H3/b8-7+,20-19-
InChIKeyKSAWSLXAMPVOHI-DFCCZADTSA-N
MW367.50 g/mol
LogP2.97
Rot. Bonds6

About (E,1Z)-3-(1,3-dimethylpyrazol-4-yl)-1-(5-methyl-2-propan-2-yl-4H-pyrazol-3-ylidene)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine

(E,1Z)-3-(1,3-dimethylpyrazol-4-yl)-1-(5-methyl-2-propan-2-yl-4H-pyrazol-3-ylidene)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine (PubChem CID 155773343) has the molecular formula C20H29N7 and a molecular weight of 367.50 g/mol. Its IUPAC name is (E,1Z)-3-(1,3-dimethylpyrazol-4-yl)-1-(5-methyl-2-propan-2-yl-4H-pyrazol-3-ylidene)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E,1Z)-3-(1,3-dimethylpyrazol-4-yl)-1-(5-methyl-2-propan-2-yl-4H-pyrazol-3-ylidene)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine
PubChem CID155773343
Molecular FormulaC20H29N7
Molecular Weight367.50 g/mol
Exact Mass367.25
IUPAC Name(E,1Z)-3-(1,3-dimethylpyrazol-4-yl)-1-(5-methyl-2-propan-2-yl-4H-pyrazol-3-ylidene)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine
SMILESCC1=NN(C(C)C)/C(=C(/C=C/c2cn(C)nc2C)NCc2cnn(C)c2)C1
InChIInChI=1S/C20H29N7/c1-14(2)27-20(9-15(3)23-27)19(21-10-17-11-22-25(5)12-17)8-7-18-13-26(6)24-16(18)4/h7-8,11-14,21H,9-10H2,1-6H3/b8-7+,20-19-
InChIKeyKSAWSLXAMPVOHI-DFCCZADTSA-N
XLogP2.97
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (E,1Z)-3-(1,3-dimethylpyrazol-4-yl)-1-(5-methyl-2-propan-2-yl-4H-pyrazol-3-ylidene)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine?
The IUPAC name of (E,1Z)-3-(1,3-dimethylpyrazol-4-yl)-1-(5-methyl-2-propan-2-yl-4H-pyrazol-3-ylidene)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine (CID 155773343) is (E,1Z)-3-(1,3-dimethylpyrazol-4-yl)-1-(5-methyl-2-propan-2-yl-4H-pyrazol-3-ylidene)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for (E,1Z)-3-(1,3-dimethylpyrazol-4-yl)-1-(5-methyl-2-propan-2-yl-4H-pyrazol-3-ylidene)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for (E,1Z)-3-(1,3-dimethylpyrazol-4-yl)-1-(5-methyl-2-propan-2-yl-4H-pyrazol-3-ylidene)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine is CC1=NN(C(C)C)/C(=C(/C=C/c2cn(C)nc2C)NCc2cnn(C)c2)C1.
What is the InChIKey of (E,1Z)-3-(1,3-dimethylpyrazol-4-yl)-1-(5-methyl-2-propan-2-yl-4H-pyrazol-3-ylidene)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine?
The InChIKey is KSAWSLXAMPVOHI-DFCCZADTSA-N. The full InChI is InChI=1S/C20H29N7/c1-14(2)27-20(9-15(3)23-27)19(21-10-17-11-22-25(5)12-17)8-7-18-13-26(6)24-16(18)4/h7-8,11-14,21H,9-10H2,1-6H3/b8-7+,20-19-.
What are the key properties of (E,1Z)-3-(1,3-dimethylpyrazol-4-yl)-1-(5-methyl-2-propan-2-yl-4H-pyrazol-3-ylidene)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine?
(E,1Z)-3-(1,3-dimethylpyrazol-4-yl)-1-(5-methyl-2-propan-2-yl-4H-pyrazol-3-ylidene)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine has a molecular weight of 367.50 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1Z)-3-(1,3-dimethylpyrazol-4-yl)-1-(5-methyl-2-propan-2-yl-4H-pyrazol-3-ylidene)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 155773343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).