(Z)-N'-methyl-2-prop-1-en-2-yl-N-(5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)prop-1-ene-1,3-diamine

C17H24N6 — CID 166956717

IUPAC(Z)-N'-methyl-2-prop-1-en-2-yl-N-(5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)prop-1-ene-1,3-diamine
SMILESC=C(C)/C(=C/Nc1cnn2ccc(N3CCCC3)nc12)CNC
InChIInChI=1S/C17H24N6/c1-13(2)14(10-18-3)11-19-15-12-20-23-9-6-16(21-17(15)23)22-7-4-5-8-22/h6,9,11-12,18-19H,1,4-5,7-8,10H2,2-3H3/b14-11+
InChIKeyGWDTTXPGZUGWPY-SDNWHVSQSA-N
MW312.42 g/mol
LogP2.42
Rot. Bonds6

About (Z)-N'-methyl-2-prop-1-en-2-yl-N-(5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)prop-1-ene-1,3-diamine

(Z)-N'-methyl-2-prop-1-en-2-yl-N-(5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)prop-1-ene-1,3-diamine (PubChem CID 166956717) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is (Z)-N'-methyl-2-prop-1-en-2-yl-N-(5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-N'-methyl-2-prop-1-en-2-yl-N-(5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)prop-1-ene-1,3-diamine
PubChem CID166956717
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name(Z)-N'-methyl-2-prop-1-en-2-yl-N-(5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)prop-1-ene-1,3-diamine
SMILESC=C(C)/C(=C/Nc1cnn2ccc(N3CCCC3)nc12)CNC
InChIInChI=1S/C17H24N6/c1-13(2)14(10-18-3)11-19-15-12-20-23-9-6-16(21-17(15)23)22-7-4-5-8-22/h6,9,11-12,18-19H,1,4-5,7-8,10H2,2-3H3/b14-11+
InChIKeyGWDTTXPGZUGWPY-SDNWHVSQSA-N
XLogP2.42
TPSA57.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyloxiran-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine
CID 163575795
3-propyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 134386294
1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 170379383
5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 134386283
acetylene;ethyl 5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 142589568
3-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 134386222
5-(5,5-dimethylazecan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 123319389
1-[5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 157339662
N-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134386392
1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158621438
ethyl 5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 122672896
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155274061

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-methyl-2-prop-1-en-2-yl-N-(5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)prop-1-ene-1,3-diamine?
The IUPAC name of (Z)-N'-methyl-2-prop-1-en-2-yl-N-(5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)prop-1-ene-1,3-diamine (CID 166956717) is (Z)-N'-methyl-2-prop-1-en-2-yl-N-(5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)prop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-N'-methyl-2-prop-1-en-2-yl-N-(5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)prop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-N'-methyl-2-prop-1-en-2-yl-N-(5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)prop-1-ene-1,3-diamine is C=C(C)/C(=C/Nc1cnn2ccc(N3CCCC3)nc12)CNC.
What is the InChIKey of (Z)-N'-methyl-2-prop-1-en-2-yl-N-(5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)prop-1-ene-1,3-diamine?
The InChIKey is GWDTTXPGZUGWPY-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H24N6/c1-13(2)14(10-18-3)11-19-15-12-20-23-9-6-16(21-17(15)23)22-7-4-5-8-22/h6,9,11-12,18-19H,1,4-5,7-8,10H2,2-3H3/b14-11+.
What are the key properties of (Z)-N'-methyl-2-prop-1-en-2-yl-N-(5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)prop-1-ene-1,3-diamine?
(Z)-N'-methyl-2-prop-1-en-2-yl-N-(5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)prop-1-ene-1,3-diamine has a molecular weight of 312.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-methyl-2-prop-1-en-2-yl-N-(5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)prop-1-ene-1,3-diamine is sourced from PubChem (CID 166956717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).