N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C19H18N6 — CID 70734186

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2cc(NCc3cc(C4CC4)n[nH]3)n3nccc3n2)cc1
InChIInChI=1S/C19H18N6/c1-2-4-13(5-3-1)16-11-19(25-18(22-16)8-9-21-25)20-12-15-10-17(24-23-15)14-6-7-14/h1-5,8-11,14,20H,6-7,12H2,(H,23,24)
InChIKeyNEGLCGLUVKRUID-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.61
Rot. Bonds5

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70734186) has the molecular formula C19H18N6 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70734186
Molecular FormulaC19H18N6
Molecular Weight330.39 g/mol
Exact Mass330.16
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2cc(NCc3cc(C4CC4)n[nH]3)n3nccc3n2)cc1
InChIInChI=1S/C19H18N6/c1-2-4-13(5-3-1)16-11-19(25-18(22-16)8-9-21-25)20-12-15-10-17(24-23-15)14-6-7-14/h1-5,8-11,14,20H,6-7,12H2,(H,23,24)
InChIKeyNEGLCGLUVKRUID-UHFFFAOYSA-N
XLogP3.61
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70787447
5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 70772498
1-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 56884548
N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56902858
5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56899654
5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70785677
[(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol
CID 95873826
5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56888871
5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 154842512
[(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol
CID 166380412
7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 70704851
trans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 146558697

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 70734186) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is c1ccc(-c2cc(NCc3cc(C4CC4)n[nH]3)n3nccc3n2)cc1.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NEGLCGLUVKRUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-2-4-13(5-3-1)16-11-19(25-18(22-16)8-9-21-25)20-12-15-10-17(24-23-15)14-6-7-14/h1-5,8-11,14,20H,6-7,12H2,(H,23,24).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 330.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70734186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).