acetylene;2-cyclopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane;formaldehyde

C15H22N4O — CID 144874892

IUPACacetylene;2-cyclopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane;formaldehyde
SMILESC#C.C=O.CC.CNc1ccnc2cc(C3CC3)nn12
InChIInChI=1S/C10H12N4.C2H6.C2H2.CH2O/c1-11-9-4-5-12-10-6-8(7-2-3-7)13-14(9)10;3*1-2/h4-7,11H,2-3H2,1H3;1-2H3;1-2H;1H2
InChIKeyROXFOMWFJUEPKG-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.74
Rot. Bonds2

About acetylene;2-cyclopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane;formaldehyde

acetylene;2-cyclopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane;formaldehyde (PubChem CID 144874892) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is acetylene;2-cyclopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane;formaldehyde.

Molecular Properties

Compound Nameacetylene;2-cyclopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane;formaldehyde
PubChem CID144874892
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Nameacetylene;2-cyclopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane;formaldehyde
SMILESC#C.C=O.CC.CNc1ccnc2cc(C3CC3)nn12
InChIInChI=1S/C10H12N4.C2H6.C2H2.CH2O/c1-11-9-4-5-12-10-6-8(7-2-3-7)13-14(9)10;3*1-2/h4-7,11H,2-3H2,1H3;1-2H3;1-2H;1H2
InChIKeyROXFOMWFJUEPKG-UHFFFAOYSA-N
XLogP2.74
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Istisociclib
CID 146502834
5-(Piperidin-3-yl)-3-(prop-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224560
2-N-(4-aminocyclohexyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 122178555
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
CID 53320653
N-ethyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
CID 53324165
N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-isopentyl-pyrimidine-2,4-diamine
CID 70683297
N2-cyclohexyl-N4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 70689607
N2-(cyclopropylmethyl)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 70689608
N2-cyclopentyl-N4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 70689609
2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 122178551

Frequently Asked Questions

What is the IUPAC name of acetylene;2-cyclopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane;formaldehyde?
The IUPAC name of acetylene;2-cyclopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane;formaldehyde (CID 144874892) is acetylene;2-cyclopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane;formaldehyde.
What is the SMILES notation for acetylene;2-cyclopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane;formaldehyde?
The canonical SMILES for acetylene;2-cyclopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane;formaldehyde is C#C.C=O.CC.CNc1ccnc2cc(C3CC3)nn12.
What is the InChIKey of acetylene;2-cyclopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane;formaldehyde?
The InChIKey is ROXFOMWFJUEPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.C2H6.C2H2.CH2O/c1-11-9-4-5-12-10-6-8(7-2-3-7)13-14(9)10;3*1-2/h4-7,11H,2-3H2,1H3;1-2H3;1-2H;1H2.
What are the key properties of acetylene;2-cyclopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane;formaldehyde?
acetylene;2-cyclopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane;formaldehyde has a molecular weight of 274.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-cyclopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane;formaldehyde is sourced from PubChem (CID 144874892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).