(4R)-6-amino-3-(methoxymethyl)-4-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C12H16N4O2 — CID 949456

IUPAC(4R)-6-amino-3-(methoxymethyl)-4-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCC[C@@H]1C(C#N)=C(N)Oc2n[nH]c(COC)c21
InChIInChI=1S/C12H16N4O2/c1-3-4-7-8(5-13)11(14)18-12-10(7)9(6-17-2)15-16-12/h7H,3-4,6,14H2,1-2H3,(H,15,16)/t7-/m1/s1
InChIKeyLZGURHTWSPFVKS-SSDOTTSWSA-N
MW248.29 g/mol
LogP1.53
Rot. Bonds4

About (4R)-6-amino-3-(methoxymethyl)-4-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4R)-6-amino-3-(methoxymethyl)-4-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 949456) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is (4R)-6-amino-3-(methoxymethyl)-4-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4R)-6-amino-3-(methoxymethyl)-4-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID949456
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name(4R)-6-amino-3-(methoxymethyl)-4-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCC[C@@H]1C(C#N)=C(N)Oc2n[nH]c(COC)c21
InChIInChI=1S/C12H16N4O2/c1-3-4-7-8(5-13)11(14)18-12-10(7)9(6-17-2)15-16-12/h7H,3-4,6,14H2,1-2H3,(H,15,16)/t7-/m1/s1
InChIKeyLZGURHTWSPFVKS-SSDOTTSWSA-N
XLogP1.53
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

ethyl 2-[(4S)-6-amino-5-cyano-4-propyl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
CID 757242
(4S)-6-amino-4-benzyl-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 950005
6-amino-4-[4-[6-amino-5-cyano-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3402751
(4R)-6-amino-3-(methoxymethyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 845578
(4R)-6-amino-4-(2,6-difluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 95196354
(4S)-6-amino-3-(methoxymethyl)-4-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 743737
(4R)-6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1275927
(4R)-6-amino-4-[(1S)-cyclohex-2-en-1-yl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 931278
6-amino-3-(methoxymethyl)-4-(4-phenylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 5144202
(4R)-6-amino-4-(3,4-diethoxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1086265
(4S)-6-amino-4-(3,4-diethoxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1086266
(4S)-6-amino-4-(3,4-dimethoxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 673015

Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-3-(methoxymethyl)-4-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4R)-6-amino-3-(methoxymethyl)-4-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 949456) is (4R)-6-amino-3-(methoxymethyl)-4-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4R)-6-amino-3-(methoxymethyl)-4-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4R)-6-amino-3-(methoxymethyl)-4-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCC[C@@H]1C(C#N)=C(N)Oc2n[nH]c(COC)c21.
What is the InChIKey of (4R)-6-amino-3-(methoxymethyl)-4-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is LZGURHTWSPFVKS-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-3-4-7-8(5-13)11(14)18-12-10(7)9(6-17-2)15-16-12/h7H,3-4,6,14H2,1-2H3,(H,15,16)/t7-/m1/s1.
What are the key properties of (4R)-6-amino-3-(methoxymethyl)-4-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4R)-6-amino-3-(methoxymethyl)-4-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-3-(methoxymethyl)-4-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 949456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).